16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
TL;DR: 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CAS 91864-32-3) is a chemical compound with molecular formula C22H32O3 and molecular weight 344.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-propyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
Also Known As: 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol, J2.790.737G, (8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-propyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol, 16-propyl-3-methoxy-estra-1,3,5(10)-triene-16, A,17
| Molecular Formula | C22H32O3 |
|---|---|
| Molecular Weight | 344.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.23514 |
| Heavy Atoms | 25 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 91864-32-3 |
|---|---|
| SMILES | CCC[C@@]1(C[C@H]2[C@@H]3CCC4=C([C@H]3CC[C@@]2([C@H]1O)C)C=CC(=C4)OC)O |
| InChIKey | CVNVHOYBHQEWMN-BTOHRNCKSA-N |
Product Overview
16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CAS 91864-32-3), with molecular formula C22H32O3 and molecular weight 344.24 g/mol. IUPAC: (8R,9S,13S,14S,16S,17R)-3-methoxy-13-methyl-16-propyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol.
Chemical Property Profile of 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Property Insights of 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
The XLogP value of 3.1 indicates that 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.7 Ų, 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol has 2 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 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol?
The CAS number of 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol is 91864-32-3.
What is the molecular formula of 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol?
The molecular formula of 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol is C22H32O3.
What is the molecular weight of 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol?
The molecular weight of 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol is 344.24 g/mol.
Where can I buy 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol?
You can request a quote for 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol?
Yes, KEHONG BIO provides custom synthesis services for 16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.