BAS 01053192
TL;DR: BAS 01053192 (CAS 353252-51-4) is a chemical compound with molecular formula C17H16ClN3 and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: BAS 01053192, 2-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-AMINO-4-(4-CHLOROPHENYL)-5H,6H,7H,8H,9H-CYCLOHEPTA[B]PYRIDINE-3-CARBONITRILE
| Molecular Formula | C17H16ClN3 |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 297.10327 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 353252-51-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C(C(=C2C3=CC=C(C=C3)Cl)C#N)N |
| InChIKey | UWJJUVDTKOUNNX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
BAS 01053192 (CAS 353252-51-4), with molecular formula C17H16ClN3 and molecular weight 297.10 g/mol. IUPAC: 2-amino-4-(4-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 01053192
Property Insights of BAS 01053192
The XLogP value of 4.8 indicates that BAS 01053192 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01053192. Following Lipinski's Rule of Five, BAS 01053192 has 1 hydrogen bond donor(s) and 3 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 BAS 01053192?
The CAS number of BAS 01053192 is 353252-51-4.
What is the molecular formula of BAS 01053192?
The molecular formula of BAS 01053192 is C17H16ClN3.
What is the molecular weight of BAS 01053192?
The molecular weight of BAS 01053192 is 297.10 g/mol.
Where can I buy BAS 01053192?
You can request a quote for BAS 01053192 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01053192?
Yes, KEHONG BIO provides custom synthesis services for BAS 01053192 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.