BAS 00667068
TL;DR: BAS 00667068 (CAS 5263-34-3) is a chemical compound with molecular formula C18H15ClN2OS and molecular weight 342.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile
Also Known As: BAS 00667068, AB00077655-01, 2-Thioxo-4-(4-chlorophenyl)-5-oxo-7,7-dimethyl-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile, 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile, 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1,2,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C18H15ClN2OS |
|---|---|
| Molecular Weight | 342.06 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.05936 |
| Heavy Atoms | 23 |
| Complexity | 687.0 |
Chemical Identifiers
| CAS Number | 5263-34-3 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Cl)C |
| InChIKey | UCEIHDIAIDNTFO-UHFFFAOYSA-N |
Product Overview
BAS 00667068 (CAS 5263-34-3), with molecular formula C18H15ClN2OS and molecular weight 342.06 g/mol. IUPAC: 4-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of BAS 00667068
Property Insights of BAS 00667068
The XLogP value of 3.2 indicates that BAS 00667068 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00667068. Following Lipinski's Rule of Five, BAS 00667068 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 00667068?
The CAS number of BAS 00667068 is 5263-34-3.
What is the molecular formula of BAS 00667068?
The molecular formula of BAS 00667068 is C18H15ClN2OS.
What is the molecular weight of BAS 00667068?
The molecular weight of BAS 00667068 is 342.06 g/mol.
Where can I buy BAS 00667068?
You can request a quote for BAS 00667068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00667068?
Yes, KEHONG BIO provides custom synthesis services for BAS 00667068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.