1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate
TL;DR: 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate (CAS 4147-13-1) is a chemical compound with molecular formula C32H32O4 and molecular weight 480.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate
Also Known As: 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate, ESTRA-1,3,5(10)-TRIENE-3,17-BETA-DIYL DIBENZOATE, (3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate
| Molecular Formula | C32H32O4 |
|---|---|
| Molecular Weight | 480.23 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.23007 |
| Heavy Atoms | 36 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 4147-13-1 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OC(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6 |
| InChIKey | QSEBTTYLHXQXSF-UHFFFAOYSA-N |
Product Overview
1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate (CAS 4147-13-1), with molecular formula C32H32O4 and molecular weight 480.23 g/mol. IUPAC: (3-benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate.
Chemical Property Profile of 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate
Property Insights of 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate
The XLogP value of 6.7 indicates that 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate 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 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate?
The CAS number of 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate is 4147-13-1.
What is the molecular formula of 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate?
The molecular formula of 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate is C32H32O4.
What is the molecular weight of 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate?
The molecular weight of 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate is 480.23 g/mol.
Where can I buy 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate?
You can request a quote for 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5(10)-Estratrien-3,17-beta-diol dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.