BAS 01039371
TL;DR: BAS 01039371 (CAS 5472-46-8) is a chemical compound with molecular formula C20H21NO5 and molecular weight 355.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 01039371, BIM-0021060.P001, methyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-[4-(acetyloxy)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C20H21NO5 |
|---|---|
| Molecular Weight | 355.14 g/mol |
| LogP | 2.7528 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.14197 |
| Heavy Atoms | 26 |
| Complexity | 832.26245 |
Chemical Identifiers
| CAS Number | 5472-46-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=C(C=C3)OC(=O)C)C(=O)OC |
Product Overview
BAS 01039371 (CAS 5472-46-8), with molecular formula C20H21NO5 and molecular weight 355.14 g/mol. IUPAC: methyl 4-(4-acetyloxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 01039371
Property Insights of BAS 01039371
The XLogP value of 2.7528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01039371. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01039371. Following Lipinski's Rule of Five, BAS 01039371 has 1 hydrogen bond donor(s) and 6 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 01039371?
The CAS number of BAS 01039371 is 5472-46-8.
What is the molecular formula of BAS 01039371?
The molecular formula of BAS 01039371 is C20H21NO5.
What is the molecular weight of BAS 01039371?
The molecular weight of BAS 01039371 is 355.14 g/mol.
Where can I buy BAS 01039371?
You can request a quote for BAS 01039371 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01039371?
Yes, KEHONG BIO provides custom synthesis services for BAS 01039371 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.