Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-
TL;DR: Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- (CAS 84304-91-6) is a chemical compound with molecular formula C21H28O6 and molecular weight 376.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4S,8R,9R,12S,13S,14S,16R)-14-hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
Also Known As: Rabdosin A, Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-, (4S,8R,9R,12S,13S,14S,16R)-14-Hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione
| Molecular Formula | C21H28O6 |
|---|---|
| Molecular Weight | 376.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.1886 |
| Heavy Atoms | 27 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 84304-91-6 |
|---|---|
| SMILES | CC1(CC[C@H]2[C@]3([C@@H]1[C@@H](OC3)OC)[C@@H]4[C@H](C[C@H]5CC4(C(=O)C5=C)C(=O)O2)O)C |
| InChIKey | ANNDQWYMQQILCQ-OAFDGUKCSA-N |
Product Overview
Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- (CAS 84304-91-6), with molecular formula C21H28O6 and molecular weight 376.19 g/mol. IUPAC: (4S,8R,9R,12S,13S,14S,16R)-14-hydroxy-9-methoxy-7,7-dimethyl-17-methylidene-3,10-dioxapentacyclo[14.2.1.01,13.04,12.08,12]nonadecane-2,18-dione.
Chemical Property Profile of Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-
Property Insights of Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-. Following Lipinski's Rule of Five, Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- 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 Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-?
The CAS number of Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- is 84304-91-6.
What is the molecular formula of Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-?
The molecular formula of Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- is C21H28O6.
What is the molecular weight of Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-?
The molecular weight of Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- is 376.19 g/mol.
Where can I buy Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-?
You can request a quote for Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)-?
Yes, KEHONG BIO provides custom synthesis services for Enmein,13-deoxy-5-hydroxy-O10-methyl-, (5a)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.