1-Epideacetylbowdensine
TL;DR: 1-Epideacetylbowdensine (CAS 101219-55-0) is a chemical compound with molecular formula C17H21NO5 and molecular weight 319.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R,16S,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol
Also Known As: Bulbisine, 1-Epideacetylbowdensine, Deacetylbowdensine, (+)-Bulbisine, 1-Epidideacetylbowdensine
| Molecular Formula | C17H21NO5 |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 319.14197 |
| Heavy Atoms | 23 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 101219-55-0 |
|---|---|
| SMILES | COC1=C2CN3CC[C@@]4([C@H]3CC[C@@H]([C@@H]4O)O)C2=CC5=C1OCO5 |
| InChIKey | YDHBKYCFICHVSW-LPOXYFBYSA-N |
Product Overview
1-Epideacetylbowdensine (CAS 101219-55-0), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: (1S,13R,16S,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-16,17-diol.
Chemical Property Profile of 1-Epideacetylbowdensine
Property Insights of 1-Epideacetylbowdensine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Epideacetylbowdensine. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Epideacetylbowdensine. Following Lipinski's Rule of Five, 1-Epideacetylbowdensine has 2 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 1-Epideacetylbowdensine?
The CAS number of 1-Epideacetylbowdensine is 101219-55-0.
What is the molecular formula of 1-Epideacetylbowdensine?
The molecular formula of 1-Epideacetylbowdensine is C17H21NO5.
What is the molecular weight of 1-Epideacetylbowdensine?
The molecular weight of 1-Epideacetylbowdensine is 319.14 g/mol.
Where can I buy 1-Epideacetylbowdensine?
You can request a quote for 1-Epideacetylbowdensine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Epideacetylbowdensine?
Yes, KEHONG BIO provides custom synthesis services for 1-Epideacetylbowdensine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.