BAS 00609469
TL;DR: BAS 00609469 (CAS 327098-56-6) is a chemical compound with molecular formula C17H16FN3 and molecular weight 281.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Also Known As: BAS 00609469, BIM-0027183.P001, AB00092194-01, 2-Amino-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile, 2-amino-4-(4-fluorophenyl)-5,6,7,8,9-pentahydrocyclohepta[1,2-b]pyridine-3-car bonitrile
| Molecular Formula | C17H16FN3 |
|---|---|
| Molecular Weight | 281.13 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.1328 |
| Heavy Atoms | 21 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 327098-56-6 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C(C(=C2C3=CC=C(C=C3)F)C#N)N |
| InChIKey | COABJFFHLKNVTB-UHFFFAOYSA-N |
Product Overview
BAS 00609469 (CAS 327098-56-6), with molecular formula C17H16FN3 and molecular weight 281.13 g/mol. IUPAC: 2-amino-4-(4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile.
Chemical Property Profile of BAS 00609469
Property Insights of BAS 00609469
The XLogP value of 4.3 indicates that BAS 00609469 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 00609469. Following Lipinski's Rule of Five, BAS 00609469 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 00609469?
The CAS number of BAS 00609469 is 327098-56-6.
What is the molecular formula of BAS 00609469?
The molecular formula of BAS 00609469 is C17H16FN3.
What is the molecular weight of BAS 00609469?
The molecular weight of BAS 00609469 is 281.13 g/mol.
Where can I buy BAS 00609469?
You can request a quote for BAS 00609469 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00609469?
Yes, KEHONG BIO provides custom synthesis services for BAS 00609469 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.