BAS 01053091
TL;DR: BAS 01053091 (CAS 353775-00-5) is a chemical compound with molecular formula C18H19N3O and molecular weight 293.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: BAS 01053091, J3.364.819G, 2-amino-4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-AMINO-4-(2-METHOXYPHENYL)-5H,6H,7H,8H,9H-CYCLOHEPTA[B]PYRIDINE-3-CARBONITRILE
| Molecular Formula | C18H19N3O |
|---|---|
| Molecular Weight | 293.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.1528 |
| Heavy Atoms | 22 |
| Complexity | 418.0 |
Chemical Identifiers
| CAS Number | 353775-00-5 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=C(C(=NC3=C2CCCCC3)N)C#N |
| InChIKey | WCSGZJHELJNHDF-UHFFFAOYSA-N |
Product Overview
BAS 01053091 (CAS 353775-00-5), with molecular formula C18H19N3O and molecular weight 293.15 g/mol. IUPAC: 2-amino-4-(2-methoxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 01053091
Property Insights of BAS 01053091
The XLogP value of 4.1 indicates that BAS 01053091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01053091. Following Lipinski's Rule of Five, BAS 01053091 has 1 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 BAS 01053091?
The CAS number of BAS 01053091 is 353775-00-5.
What is the molecular formula of BAS 01053091?
The molecular formula of BAS 01053091 is C18H19N3O.
What is the molecular weight of BAS 01053091?
The molecular weight of BAS 01053091 is 293.15 g/mol.
Where can I buy BAS 01053091?
You can request a quote for BAS 01053091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01053091?
Yes, KEHONG BIO provides custom synthesis services for BAS 01053091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.