NSC 99694
TL;DR: NSC 99694 (CAS 3589-90-0) is a chemical compound with molecular formula C23H32O3 and molecular weight 356.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol
Also Known As: 17beta-Estradiol 3-tetrahydropyranyl ether, 13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol, Estra-1,3,5(10)-triene-17-beta-diol-17-tetrahydropyranyl ether, 17-beta-(Tetrahydro-2H-pyran-2-yloxy)estra-1,3,5(10)-trien-3-ol, ESTRA-1,3,5(10)-TRIEN-3-OL, 17-beta-(TETRAHYDRO-2H-PYRAN-2-YLOXY)-
| Molecular Formula | C23H32O3 |
|---|---|
| Molecular Weight | 356.24 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.23514 |
| Heavy Atoms | 26 |
| Complexity | 508.0 |
Chemical Identifiers
| CAS Number | 3589-90-0 |
|---|---|
| SMILES | CC12CCC3C(C1CCC2OC4CCCCO4)CCC5=C3C=CC(=C5)O |
| InChIKey | DRRJWMXJIVWKKW-UHFFFAOYSA-N |
Product Overview
NSC 99694 (CAS 3589-90-0), with molecular formula C23H32O3 and molecular weight 356.24 g/mol. IUPAC: 13-methyl-17-(oxan-2-yloxy)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol.
Chemical Property Profile of NSC 99694
Property Insights of NSC 99694
The XLogP value of 5.4 indicates that NSC 99694 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, NSC 99694 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NSC 99694 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of NSC 99694?
The CAS number of NSC 99694 is 3589-90-0.
What is the molecular formula of NSC 99694?
The molecular formula of NSC 99694 is C23H32O3.
What is the molecular weight of NSC 99694?
The molecular weight of NSC 99694 is 356.24 g/mol.
Where can I buy NSC 99694?
You can request a quote for NSC 99694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NSC 99694?
Yes, KEHONG BIO provides custom synthesis services for NSC 99694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.