RefChem:339760
TL;DR: RefChem:339760 (CAS 75219-45-3) is a chemical compound with molecular formula C34H43Cl2NO5 and molecular weight 615.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate
Also Known As: KM 2202, Estra-1,3,5(10)-triene-3,17-diol, (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate), [2-[[(17S)-3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-2-oxoethyl]4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, [2-[[(17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate, 2-{[3-Hydroxyestra-1(10),2,4-trien-17-yl]oxy}-2-oxoethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate
| Molecular Formula | C34H43Cl2NO5 |
|---|---|
| Molecular Weight | 615.25 g/mol |
| LogP | 8.1 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 615.25183 |
| Heavy Atoms | 42 |
| Complexity | 891.0 |
Chemical Identifiers
| CAS Number | 75219-45-3 |
|---|---|
| SMILES | CC12CCC3C(C1CC[C@@H]2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)O |
| InChIKey | BLZFYQBYJHKGPF-CWTAYCDISA-N |
Product Overview
RefChem:339760 (CAS 75219-45-3), with molecular formula C34H43Cl2NO5 and molecular weight 615.25 g/mol. IUPAC: [2-[[(17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]oxy]-2-oxoethyl] 4-[4-[bis(2-chloroethyl)amino]phenyl]butanoate.
Chemical Property Profile of RefChem:339760
Property Insights of RefChem:339760
The XLogP value of 8.1 indicates that RefChem:339760 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:339760. Following Lipinski's Rule of Five, RefChem:339760 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:339760?
The CAS number of RefChem:339760 is 75219-45-3.
What is the molecular formula of RefChem:339760?
The molecular formula of RefChem:339760 is C34H43Cl2NO5.
What is the molecular weight of RefChem:339760?
The molecular weight of RefChem:339760 is 615.25 g/mol.
Where can I buy RefChem:339760?
You can request a quote for RefChem:339760 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:339760?
Yes, KEHONG BIO provides custom synthesis services for RefChem:339760 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.