Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-
TL;DR: Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- (CAS 35596-59-9) is a chemical compound with molecular formula C25H39NO5 and molecular weight 433.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
22-(1-hydroxyethyl)-9-methoxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricos-21-en-12-ol
Also Known As: Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8.beta.,20.xi.)-, (8beta,20epsilon)-7,8-Dihydro-O3-methylbatrachotoxinin A, Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-
| Molecular Formula | C25H39NO5 |
|---|---|
| Molecular Weight | 433.28 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 433.28284 |
| Heavy Atoms | 31 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 35596-59-9 |
|---|---|
| SMILES | CC(C1=CCC23C1(CC(C45C2CCC6C4(CCC(C6)(O5)OC)C)O)CN(CCO3)C)O |
| InChIKey | IFMSHJWNXWAFQD-UHFFFAOYSA-N |
Product Overview
Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- (CAS 35596-59-9), with molecular formula C25H39NO5 and molecular weight 433.28 g/mol. IUPAC: 22-(1-hydroxyethyl)-9-methoxy-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricos-21-en-12-ol.
Chemical Property Profile of Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-
Property Insights of Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-. Following Lipinski's Rule of Five, Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- 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 Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-?
The CAS number of Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- is 35596-59-9.
What is the molecular formula of Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-?
The molecular formula of Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- is C25H39NO5.
What is the molecular weight of Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-?
The molecular weight of Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- is 433.28 g/mol.
Where can I buy Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-?
You can request a quote for Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)-?
Yes, KEHONG BIO provides custom synthesis services for Batrachotoxinin A, 7,8-dihydro-O3-methyl-, (8beta,20xi)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.