Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-
TL;DR: Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- (CAS 102035-85-8) is a chemical compound with molecular formula C22H33NO2 and molecular weight 343.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7R,8R,9S,13S,14S,17S)-7-(4-aminobutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Also Known As: 7-(4-Aminobutyl)estra-1(10),2,4-triene-3,17-diol, Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-, 7alpha-(4-Aminobutyl)estra-1(10),2,4-triene-3,17beta-diol, (7R,8R,9S,13S,14S,17S)-7-(4-aminobutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
| Molecular Formula | C22H33NO2 |
|---|---|
| Molecular Weight | 343.25 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.25113 |
| Heavy Atoms | 25 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 102035-85-8 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@@H](CC4=C3C=CC(=C4)O)CCCCN |
| InChIKey | UWNKDBFVPRIPLL-YGXGTWSRSA-N |
Product Overview
Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- (CAS 102035-85-8), with molecular formula C22H33NO2 and molecular weight 343.25 g/mol. IUPAC: (7R,8R,9S,13S,14S,17S)-7-(4-aminobutyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-
Property Insights of Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-
The XLogP value of 4.0 indicates that Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-. Following Lipinski's Rule of Five, Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- has 3 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 Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-?
The CAS number of Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- is 102035-85-8.
What is the molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-?
The molecular formula of Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- is C22H33NO2.
What is the molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-?
The molecular weight of Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- is 343.25 g/mol.
Where can I buy Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)-?
You can request a quote for Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- 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, 7-(4-aminobutyl)-, (7alpha,17beta)-?
Yes, KEHONG BIO provides custom synthesis services for Estra-1,3,5(10)-triene-3,17-diol, 7-(4-aminobutyl)-, (7alpha,17beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.