比西发定
TL;DR: 比西发定 (CAS 71195-57-8) is a chemical compound with molecular formula C12H15N and molecular weight 173.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
比西发定
1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
Also Known As: Bicifadina, Bicifadinum, Bicifadino, Bicifadine [INN], 1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane
| Molecular Formula | C12H15N |
|---|---|
| Molecular Weight | 173.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.12045 |
| Heavy Atoms | 13 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 71195-57-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C23CC2CNC3 |
| InChIKey | OFYVIGTWSQPCLF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
比西发定 (CAS 71195-57-8), with molecular formula C12H15N and molecular weight 173.12 g/mol. IUPAC: 1-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane.
Chemical Property Profile of 比西发定
Property Insights of 比西发定
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 比西发定. With a topological polar surface area (TPSA) of 12.0 Ų, 比西发定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 比西发定 has 1 hydrogen bond donor(s) and 1 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 比西发定?
The CAS number of 比西发定 is 71195-57-8.
What is the molecular formula of 比西发定?
The molecular formula of 比西发定 is C12H15N.
What is the molecular weight of 比西发定?
The molecular weight of 比西发定 is 173.12 g/mol.
Where can I buy 比西发定?
You can request a quote for 比西发定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 比西发定?
Yes, KEHONG BIO provides custom synthesis services for 比西发定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.