![21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione structure](/static/products/2414/24141-91-1.webp)
21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione
TL;DR: 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione (CAS 24141-91-1) is a chemical compound with molecular formula C31H41Cl2NO2S and molecular weight 561.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Also Known As: 21-({4-[bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione, 17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
| Molecular Formula | C31H41Cl2NO2S |
|---|---|
| Molecular Weight | 561.22 g/mol |
| LogP | 7.1 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 561.2235 |
| Heavy Atoms | 37 |
| Complexity | 880.0 |
Chemical Identifiers
| CAS Number | 24141-91-1 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2C(=O)CSC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)CCC35C |
| InChIKey | PYDWODSWXGKSRQ-UHFFFAOYSA-N |
Product Overview
21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione (CAS 24141-91-1), with molecular formula C31H41Cl2NO2S and molecular weight 561.22 g/mol. IUPAC: 17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one.
Chemical Property Profile of 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione
Property Insights of 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione
The XLogP value of 7.1 indicates that 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione. Following Lipinski's Rule of Five, 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione 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 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione?
The CAS number of 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione is 24141-91-1.
What is the molecular formula of 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione?
The molecular formula of 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione is C31H41Cl2NO2S.
What is the molecular weight of 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione?
The molecular weight of 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione is 561.22 g/mol.
Where can I buy 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione?
You can request a quote for 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione?
Yes, KEHONG BIO provides custom synthesis services for 21-({4-[Bis(2-chloroethyl)amino]phenyl}sulfanyl)pregn-4-ene-3,20-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.