BAS 00915947
TL;DR: BAS 00915947 (CAS 5711-97-7) is a chemical compound with molecular formula C31H28ClNO4 and molecular weight 513.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00915947, 5-pyridin-3-yl-1,3,4-oxadiazol-2-amine, methyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-[2-(benzyloxy)phenyl]-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
| Molecular Formula | C31H28ClNO4 |
|---|---|
| Molecular Weight | 513.17 g/mol |
| LogP | 6.4536 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 513.1707 |
| Heavy Atoms | 37 |
| Complexity | 1392.2201 |
Chemical Identifiers
| CAS Number | 5711-97-7 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)OC |
Product Overview
BAS 00915947 (CAS 5711-97-7), with molecular formula C31H28ClNO4 and molecular weight 513.17 g/mol. IUPAC: methyl 7-(4-chlorophenyl)-2-methyl-5-oxo-4-(2-phenylmethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00915947
Property Insights of BAS 00915947
The XLogP value of 6.4536 indicates that BAS 00915947 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00915947. Following Lipinski's Rule of Five, BAS 00915947 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00915947?
The CAS number of BAS 00915947 is 5711-97-7.
What is the molecular formula of BAS 00915947?
The molecular formula of BAS 00915947 is C31H28ClNO4.
What is the molecular weight of BAS 00915947?
The molecular weight of BAS 00915947 is 513.17 g/mol.
Where can I buy BAS 00915947?
You can request a quote for BAS 00915947 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00915947?
Yes, KEHONG BIO provides custom synthesis services for BAS 00915947 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.