![[17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate structure](/static/products/6004/60042-56-0.webp)
[17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
TL;DR: [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate (CAS 60042-56-0) is a chemical compound with molecular formula C37H55NO7 and molecular weight 625.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
Also Known As: [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate|24-[(Adamantan-1-yl)amino]-24-oxocholane-3,7,12-triyl triformate
| Molecular Formula | C37H55NO7 |
|---|---|
| Molecular Weight | 625.40 g/mol |
| LogP | 7.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 625.3978 |
| Heavy Atoms | 45 |
| Complexity | 1120.0 |
Chemical Identifiers
| CAS Number | 60042-56-0 |
|---|---|
| SMILES | CC(CCC(=O)NC12CC3CC(C1)CC(C3)C2)C4CCC5C4(C(CC6C5C(CC7C6(CCC(C7)OC=O)C)OC=O)OC=O)C |
| InChIKey | HYFKVRKOUQZNDO-UHFFFAOYSA-N |
Product Overview
[17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate (CAS 60042-56-0), with molecular formula C37H55NO7 and molecular weight 625.40 g/mol. IUPAC: [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate.
Chemical Property Profile of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
Property Insights of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate
The XLogP value of 7.8 indicates that [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate. Following Lipinski's Rule of Five, [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate?
The CAS number of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate is 60042-56-0.
What is the molecular formula of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate?
The molecular formula of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate is C37H55NO7.
What is the molecular weight of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate?
The molecular weight of [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate is 625.40 g/mol.
Where can I buy [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate?
You can request a quote for [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate?
Yes, KEHONG BIO provides custom synthesis services for [17-[5-(1-adamantylamino)-5-oxopentan-2-yl]-7,12-diformyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.