Episteganol, DL
TL;DR: Episteganol, DL (CAS 58800-44-5) is a chemical compound with molecular formula C22H22O8 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9S,13S,14R)-14-hydroxy-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-10-one
Also Known As: Episteganol, DL, Episteganol, DL-, 3a,4,14,14a-Tetrahydro-14-hydroxy-6,7,8-trimethoxybenzo(3,4)furo(3',4':6,7)cycloocta(1,2-f)(1,3)benzodeoxol-3(1H)-one (3aalpha,14beta,14abeta)-, (3aS,14R,14aS)-14-Hydroxy-6,7,8-trimethoxy-3a,4,14,14a-tetrahydro-11H-benzo[3,4]furo[3',4':6,7]cycloocta[1,2-f][1,3]benzodioxol-3(1H)-one, Benzo(3,4)furo(3',4':6,7)cycloocta(1,2-f)(1,3)benzodeoxol-3(1H)-one, 3a,4,14,14a-tetrahydro-14-hydroxy-6,7,8-trimethoxy-, (3aalpha,14beta,14abeta)-
| Molecular Formula | C22H22O8 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 414.13147 |
| Heavy Atoms | 30 |
| Complexity | 643.0 |
Chemical Identifiers
| CAS Number | 58800-44-5 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)C[C@H]3[C@@H](COC3=O)[C@H](C4=CC5=C(C=C42)OCO5)O)OC)OC |
| InChIKey | VLOMFQZOMYZLFI-KSMMKXTCSA-N |
Product Overview
Episteganol, DL (CAS 58800-44-5), with molecular formula C22H22O8 and molecular weight 414.13 g/mol. IUPAC: (9S,13S,14R)-14-hydroxy-3,4,5-trimethoxy-11,18,20-trioxapentacyclo[13.7.0.02,7.09,13.017,21]docosa-1(22),2,4,6,15,17(21)-hexaen-10-one.
Chemical Property Profile of Episteganol, DL
Property Insights of Episteganol, DL
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Episteganol, DL. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Episteganol, DL. Following Lipinski's Rule of Five, Episteganol, DL has 1 hydrogen bond donor(s) and 8 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 Episteganol, DL?
The CAS number of Episteganol, DL is 58800-44-5.
What is the molecular formula of Episteganol, DL?
The molecular formula of Episteganol, DL is C22H22O8.
What is the molecular weight of Episteganol, DL?
The molecular weight of Episteganol, DL is 414.13 g/mol.
Where can I buy Episteganol, DL?
You can request a quote for Episteganol, DL directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Episteganol, DL?
Yes, KEHONG BIO provides custom synthesis services for Episteganol, DL and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.