AB00099317-01
TL;DR: AB00099317-01 (CAS 312598-87-1) is a chemical compound with molecular formula C21H25NO3S and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-methyl-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: AB00099317-01, cyclohexyl 2-methyl-5-oxo-4-(thiophen-3-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, Cyclohexyl 2-methyl-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, cyclohexyl 2-methyl-5-oxo-4-(3-thienyl)-1,4,6,7,8-pentahydroquinoline-3-carbox ylate, CYCLOHEXYL 2-METHYL-5-OXO-4-(THIOPHEN-3-YL)-4,6,7,8-TETRAHYDRO-1H-QUINOLINE-3-CARBOXYLATE
| Molecular Formula | C21H25NO3S |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 4.5919 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.15552 |
| Heavy Atoms | 26 |
| Complexity | 769.18665 |
Chemical Identifiers
| CAS Number | 312598-87-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CSC=C3)C(=O)OC4CCCCC4 |
Product Overview
AB00099317-01 (CAS 312598-87-1), with molecular formula C21H25NO3S and molecular weight 371.16 g/mol. IUPAC: cyclohexyl 2-methyl-5-oxo-4-thiophen-3-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of AB00099317-01
Property Insights of AB00099317-01
The XLogP value of 4.5919 indicates that AB00099317-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, AB00099317-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00099317-01 has 1 hydrogen bond donor(s) and 5 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 AB00099317-01?
The CAS number of AB00099317-01 is 312598-87-1.
What is the molecular formula of AB00099317-01?
The molecular formula of AB00099317-01 is C21H25NO3S.
What is the molecular weight of AB00099317-01?
The molecular weight of AB00099317-01 is 371.16 g/mol.
Where can I buy AB00099317-01?
You can request a quote for AB00099317-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00099317-01?
Yes, KEHONG BIO provides custom synthesis services for AB00099317-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.