EINECS 230-394-1
TL;DR: EINECS 230-394-1 (CAS 7091-05-6) is a chemical compound with molecular formula C21H26O5 and molecular weight 358.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,10S,11S,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one
Also Known As: 17,21-Dihydroxy-9,11-epoxypregna-1,4-diene-3,20-dione, (1S,2S,10S,11S,15S,17S)-14-Hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one, 9b,11b-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione, 9beta,11beta-Epoxy-17,21-dihydroxypregna-1,4-diene-3,20-dione, (17xi)-17,21-Dihydroxy-9beta,11beta-9,11-epoxypregna-1,4-diene-3,20-dione
| Molecular Formula | C21H26O5 |
|---|---|
| Molecular Weight | 358.18 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.178 |
| Heavy Atoms | 26 |
| Complexity | 783.0 |
Chemical Identifiers
| CAS Number | 7091-05-6 |
|---|---|
| SMILES | C[C@]12C[C@H]3[C@]4(O3)[C@H]([C@@H]1CCC2(C(=O)CO)O)CCC5=CC(=O)C=C[C@]45C |
| InChIKey | WQMGIEOKPKMWEY-BDNCKTDXSA-N |
Product Overview
EINECS 230-394-1 (CAS 7091-05-6), with molecular formula C21H26O5 and molecular weight 358.18 g/mol. IUPAC: (1S,2S,10S,11S,15S,17S)-14-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-5-one.
Chemical Property Profile of EINECS 230-394-1
Property Insights of EINECS 230-394-1
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for EINECS 230-394-1. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for EINECS 230-394-1. Following Lipinski's Rule of Five, EINECS 230-394-1 has 2 hydrogen bond donor(s) and 5 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 230-394-1?
The CAS number of EINECS 230-394-1 is 7091-05-6.
What is the molecular formula of EINECS 230-394-1?
The molecular formula of EINECS 230-394-1 is C21H26O5.
What is the molecular weight of EINECS 230-394-1?
The molecular weight of EINECS 230-394-1 is 358.18 g/mol.
Where can I buy EINECS 230-394-1?
You can request a quote for EINECS 230-394-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 230-394-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 230-394-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.