BAS 02565088
TL;DR: BAS 02565088 (CAS 314053-80-0) 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-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: BAS 02565088, J3.364.816B, 2-amino-4-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-AMINO-4-(2-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 | 404.0 |
Chemical Identifiers
| CAS Number | 314053-80-0 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C(C(=C2C3=CC=CC=C3Cl)C#N)N |
| InChIKey | DXUZEEXDPSPVJN-UHFFFAOYSA-N |
Product Overview
BAS 02565088 (CAS 314053-80-0), with molecular formula C17H16ClN3 and molecular weight 297.10 g/mol. IUPAC: 2-amino-4-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 02565088
Property Insights of BAS 02565088
The XLogP value of 4.8 indicates that BAS 02565088 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 02565088. Following Lipinski's Rule of Five, BAS 02565088 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 02565088?
The CAS number of BAS 02565088 is 314053-80-0.
What is the molecular formula of BAS 02565088?
The molecular formula of BAS 02565088 is C17H16ClN3.
What is the molecular weight of BAS 02565088?
The molecular weight of BAS 02565088 is 297.10 g/mol.
Where can I buy BAS 02565088?
You can request a quote for BAS 02565088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02565088?
Yes, KEHONG BIO provides custom synthesis services for BAS 02565088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.