Buphanitine
TL;DR: Buphanitine (CAS 4673-18-1) 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,15R,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-15,17-diol
Also Known As: Buphanitine, Hemanthine, Nerbowdin, Nerbowdine, Buphanitine [MI]
| 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 | 4673-18-1 |
|---|---|
| SMILES | COC1=C2CN3CC[C@@]4([C@H]3C[C@H](C[C@H]4O)O)C2=CC5=C1OCO5 |
| InChIKey | KCNHESDRNJNLEV-PGCOIXJOSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Buphanitine (CAS 4673-18-1), with molecular formula C17H21NO5 and molecular weight 319.14 g/mol. IUPAC: (1S,13R,15R,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-15,17-diol.
Chemical Property Profile of Buphanitine
Property Insights of Buphanitine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buphanitine. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Buphanitine. Following Lipinski's Rule of Five, Buphanitine 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 Buphanitine?
The CAS number of Buphanitine is 4673-18-1.
What is the molecular formula of Buphanitine?
The molecular formula of Buphanitine is C17H21NO5.
What is the molecular weight of Buphanitine?
The molecular weight of Buphanitine is 319.14 g/mol.
Where can I buy Buphanitine?
You can request a quote for Buphanitine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Buphanitine?
Yes, KEHONG BIO provides custom synthesis services for Buphanitine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.