NCI60_003766
TL;DR: NCI60_003766 (CAS 7469-16-1) is a chemical compound with molecular formula C25H38O4 and molecular weight 402.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
Also Known As: NCI60_003766, [10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate, 17-(2-Methyl-1,3-dioxolan-2-yl)androst-16-en-3-yl acetate
| Molecular Formula | C25H38O4 |
|---|---|
| Molecular Weight | 402.28 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 402.277 |
| Heavy Atoms | 29 |
| Complexity | 708.0 |
Chemical Identifiers
| CAS Number | 7469-16-1 |
|---|---|
| SMILES | CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CC=C4C5(OCCO5)C)C)C |
| InChIKey | RKDVZUVKDIUZHM-UHFFFAOYSA-N |
Product Overview
NCI60_003766 (CAS 7469-16-1), with molecular formula C25H38O4 and molecular weight 402.28 g/mol. IUPAC: [10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.
Chemical Property Profile of NCI60_003766
Property Insights of NCI60_003766
The XLogP value of 5.1 indicates that NCI60_003766 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, NCI60_003766 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_003766 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NCI60_003766?
The CAS number of NCI60_003766 is 7469-16-1.
What is the molecular formula of NCI60_003766?
The molecular formula of NCI60_003766 is C25H38O4.
What is the molecular weight of NCI60_003766?
The molecular weight of NCI60_003766 is 402.28 g/mol.
Where can I buy NCI60_003766?
You can request a quote for NCI60_003766 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_003766?
Yes, KEHONG BIO provides custom synthesis services for NCI60_003766 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.