Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate
TL;DR: Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate (CAS 75235-73-3) is a chemical compound with molecular formula C37H47Cl2NO6 and molecular weight 671.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-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: Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate, [2-[[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-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-Oxo-2-{[3-(propanoyloxy)estra-1(10),2,4-trien-17-yl]oxy}ethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate, 2-Oxo-2-{[3-(propanoyloxy)estra-1(10),2,4-trien-17beta-yl]oxy}ethyl 4-{4-[bis(2-chloroethyl)amino]phenyl}butanoate, RefChem:339758
| Molecular Formula | C37H47Cl2NO6 |
|---|---|
| Molecular Weight | 671.28 g/mol |
| LogP | 7.62 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 14 |
| Exact Mass | 671.278 |
| Heavy Atoms | 46 |
| Complexity | 1360.1313 |
Chemical Identifiers
| CAS Number | 75235-73-3 |
|---|---|
| SMILES | CCC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4OC(=O)COC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl)C |
Product Overview
Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate (CAS 75235-73-3), with molecular formula C37H47Cl2NO6 and molecular weight 671.28 g/mol. IUPAC: [2-[[(8R,9S,13S,14S,17S)-13-methyl-3-propanoyloxy-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 Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate
Property Insights of Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate
The XLogP value of 7.62 indicates that Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate is 75235-73-3.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate is C37H47Cl2NO6.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate is 671.28 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol (17-beta)-, 17-((4-(4-(bis(2-chloroethyl)amino)phenyl)-1-oxobutoxy)acetate) 3-propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.