Buphanisin
TL;DR: Buphanisin (CAS 468-22-4) is a chemical compound with molecular formula C17H19NO3 and molecular weight 285.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,13R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene
Also Known As: Buphanisine, Buphanisin, BUPHANISIN B678018K241, Crinan,2-didehydro-3.alpha.-methoxy-, (5xi)-3-Methoxy-1,2-didehydrocrinan
| Molecular Formula | C17H19NO3 |
|---|---|
| Molecular Weight | 285.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 285.1365 |
| Heavy Atoms | 21 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 468-22-4 |
|---|---|
| SMILES | COC1C[C@@H]2[C@@]3(CCN2CC4=CC5=C(C=C43)OCO5)C=C1 |
| InChIKey | HATSAIPBKRRCME-RIJFORKLSA-N |
Product Overview
Buphanisin (CAS 468-22-4), with molecular formula C17H19NO3 and molecular weight 285.14 g/mol. IUPAC: (1S,13R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene.
Chemical Property Profile of Buphanisin
Property Insights of Buphanisin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buphanisin. With a topological polar surface area (TPSA) of 30.9 Ų, Buphanisin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Buphanisin has 0 hydrogen bond donor(s) and 4 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 Buphanisin?
The CAS number of Buphanisin is 468-22-4.
What is the molecular formula of Buphanisin?
The molecular formula of Buphanisin is C17H19NO3.
What is the molecular weight of Buphanisin?
The molecular weight of Buphanisin is 285.14 g/mol.
Where can I buy Buphanisin?
You can request a quote for Buphanisin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buphanisin?
Yes, KEHONG BIO provides custom synthesis services for Buphanisin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.