![Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate structure](/static/products/3327/33276-37-8.webp)
Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
TL;DR: Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate (CAS 33276-37-8) is a chemical compound with molecular formula C41H63Cl2NO2 and molecular weight 671.42 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate, [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
| Molecular Formula | C41H63Cl2NO2 |
|---|---|
| Molecular Weight | 671.42 g/mol |
| LogP | 12.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 671.4236 |
| Heavy Atoms | 46 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 33276-37-8 |
|---|---|
| SMILES | CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl)C)C |
| InChIKey | BCEVDOFNAFPGOW-UHFFFAOYSA-N |
Product Overview
Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate (CAS 33276-37-8), with molecular formula C41H63Cl2NO2 and molecular weight 671.42 g/mol. IUPAC: [10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
Property Insights of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
The XLogP value of 12.7 indicates that Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
The CAS number of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is 33276-37-8.
What is the molecular formula of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
The molecular formula of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is C41H63Cl2NO2.
What is the molecular weight of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
The molecular weight of Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate is 671.42 g/mol.
Where can I buy Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
You can request a quote for Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate?
Yes, KEHONG BIO provides custom synthesis services for Cholest-5-en-3-yl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.