17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate
TL;DR: 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate (CAS 5415-89-4) is a chemical compound with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) N-(2-chloroethyl)carbamate
Also Known As: 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate, (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) N-(2-chloroethyl)carbamate, 17-Oxoestra-1(10),2,4-trien-3-yl hydrogen (2-chloroethyl)carbonimidate
| Molecular Formula | C21H26ClNO3 |
|---|---|
| Molecular Weight | 375.16 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.16013 |
| Heavy Atoms | 26 |
| Complexity | 567.0 |
Chemical Identifiers
| CAS Number | 5415-89-4 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC(=O)NCCCl |
| InChIKey | OPFCLLVMXLRYKN-UHFFFAOYSA-N |
Product Overview
17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate (CAS 5415-89-4), with molecular formula C21H26ClNO3 and molecular weight 375.16 g/mol. IUPAC: (13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl) N-(2-chloroethyl)carbamate.
Chemical Property Profile of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate
Property Insights of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate
The XLogP value of 3.7 indicates that 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate?
The CAS number of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate is 5415-89-4.
What is the molecular formula of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate?
The molecular formula of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate is C21H26ClNO3.
What is the molecular weight of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate?
The molecular weight of 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate is 375.16 g/mol.
Where can I buy 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate?
You can request a quote for 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 17-oxoestra-1,3,5(10)-trien-3-yl(2-chloroethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.