BAS 00785738
TL;DR: BAS 00785738 (CAS 1217692-02-8) is a chemical compound with molecular formula C19H16ClNO2 and molecular weight 325.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
Also Known As: BAS 00785738, (3aR,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid, Rel-(3aR,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid
| Molecular Formula | C19H16ClNO2 |
|---|---|
| Molecular Weight | 325.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 325.08694 |
| Heavy Atoms | 23 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 1217692-02-8 |
|---|---|
| SMILES | C1C=C[C@H]2[C@@H]1[C@H](NC3=C2C=C(C=C3)C(=O)O)C4=CC=C(C=C4)Cl |
| InChIKey | BJFQJSHIKCEXET-HDMKZQKVSA-N |
Product Overview
BAS 00785738 (CAS 1217692-02-8), with molecular formula C19H16ClNO2 and molecular weight 325.09 g/mol. IUPAC: (3aR,4S,9bS)-4-(4-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-carboxylic acid.
Chemical Property Profile of BAS 00785738
Property Insights of BAS 00785738
The XLogP value of 4.5 indicates that BAS 00785738 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, BAS 00785738 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00785738 has 2 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 00785738?
The CAS number of BAS 00785738 is 1217692-02-8.
What is the molecular formula of BAS 00785738?
The molecular formula of BAS 00785738 is C19H16ClNO2.
What is the molecular weight of BAS 00785738?
The molecular weight of BAS 00785738 is 325.09 g/mol.
Where can I buy BAS 00785738?
You can request a quote for BAS 00785738 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00785738?
Yes, KEHONG BIO provides custom synthesis services for BAS 00785738 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.