EINECS 252-865-0
TL;DR: EINECS 252-865-0 (CAS 36102-95-1) is a chemical compound with molecular formula C25H38O6 and molecular weight 434.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1'S,2'R,9'S,11'S,12'S,15'S,16'S,18'S)-2',16'-dimethyl-15'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,5'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-18'-ol
Also Known As: 5alpha,6alpha-Epoxy-11beta-hydroxypregnane-3,20-dione, cyclic bis(ethylene acetal), 5Alpha,6alpha-epoxy-11beta-hydroxypregnane-3,20-dione,cyclic bis(ethylene acetal), (5aS,6aS,6bS,9S,9aS,11S,11aS,11bR)-9a,11b-Dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)tetradecahydro-4H-spiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,2'-[1,3]dioxolan]-11-ol, 9a,11b-Dimethyl-9-(2-methyl-1,3-dioxolan-2-yl)tetradecahydro-4H-spiro[cyclopenta[1,2]phenanthro[8a,9-b]oxirene-3,2'-[1,3]dioxolan]-11-ol, EINECS 252-865-0
| Molecular Formula | C25H38O6 |
|---|---|
| Molecular Weight | 434.27 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 434.26685 |
| Heavy Atoms | 31 |
| Complexity | 774.0 |
Chemical Identifiers
| CAS Number | 36102-95-1 |
|---|---|
| SMILES | C[C@]12CCC3(CC14[C@@H](O4)C[C@@H]5[C@@H]2[C@H](C[C@]6([C@H]5CC[C@@H]6C7(OCCO7)C)C)O)OCCO3 |
| InChIKey | PSKFLZFMMLBNMX-FWBWGNGZSA-N |
Product Overview
EINECS 252-865-0 (CAS 36102-95-1), with molecular formula C25H38O6 and molecular weight 434.27 g/mol. IUPAC: (1'S,2'R,9'S,11'S,12'S,15'S,16'S,18'S)-2',16'-dimethyl-15'-(2-methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,5'-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane]-18'-ol.
Chemical Property Profile of EINECS 252-865-0
Property Insights of EINECS 252-865-0
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 252-865-0. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 252-865-0. Following Lipinski's Rule of Five, EINECS 252-865-0 has 1 hydrogen bond donor(s) and 6 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 EINECS 252-865-0?
The CAS number of EINECS 252-865-0 is 36102-95-1.
What is the molecular formula of EINECS 252-865-0?
The molecular formula of EINECS 252-865-0 is C25H38O6.
What is the molecular weight of EINECS 252-865-0?
The molecular weight of EINECS 252-865-0 is 434.27 g/mol.
Where can I buy EINECS 252-865-0?
You can request a quote for EINECS 252-865-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 252-865-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 252-865-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.