![Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate structure](/static/products/1694/16947-14-1.webp)
Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate
TL;DR: Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate (CAS 16947-14-1) is a chemical compound with molecular formula C40H53N3O5 and molecular weight 655.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl N-[1-[[2-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
Also Known As: Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate, benzyl N-[1-[[2-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate, Carbamic acid, [alpha-[[[(20-oxo-5alpha-pregnan-3alpha-yl)carbamoyl]methyl]carbamoyl]phenethyl]-, benzyl ester, L-, Carbamic acid, [I+/--[[[(20-oxo-5I+/--pregnan-3I+/--yl)carbamoyl]methyl]carbamoyl]phenethyl]-, benzyl ester, L-
| Molecular Formula | C40H53N3O5 |
|---|---|
| Molecular Weight | 655.40 g/mol |
| LogP | 7.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 655.3985 |
| Heavy Atoms | 48 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 16947-14-1 |
|---|---|
| SMILES | CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)CNC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)C)C |
| InChIKey | JXEKRVISCGWORZ-UHFFFAOYSA-N |
Product Overview
Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate (CAS 16947-14-1), with molecular formula C40H53N3O5 and molecular weight 655.40 g/mol. IUPAC: benzyl N-[1-[[2-[(17-acetyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate.
Chemical Property Profile of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate
Property Insights of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate
The XLogP value of 7.4 indicates that Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate. Following Lipinski's Rule of Five, Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate?
The CAS number of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate is 16947-14-1.
What is the molecular formula of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate?
The molecular formula of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate is C40H53N3O5.
What is the molecular weight of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate?
The molecular weight of Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate is 655.40 g/mol.
Where can I buy Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate?
You can request a quote for Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 1-benzyl-2-oxo-2-((2-oxo-2-[(20-oxopregnan-3-yl)amino]ethyl)amino)ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.