BAS 00411034
TL;DR: BAS 00411034 (CAS 299453-68-2) is a chemical compound with molecular formula C27H29NO4 and molecular weight 431.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: BAS 00411034, benzyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, benzyl 4-(2-isopropoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, phenylmethyl 2-methyl-4-{2-[(1-methylethyl)oxy]phenyl}-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H29NO4 |
|---|---|
| Molecular Weight | 431.21 g/mol |
| LogP | 5.1851 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 431.20966 |
| Heavy Atoms | 32 |
| Complexity | 1081.845 |
Chemical Identifiers
| CAS Number | 299453-68-2 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CCCC2=O)C3=CC=CC=C3OC(C)C)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 00411034 (CAS 299453-68-2), with molecular formula C27H29NO4 and molecular weight 431.21 g/mol. IUPAC: benzyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of BAS 00411034
Property Insights of BAS 00411034
The XLogP value of 5.1851 indicates that BAS 00411034 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 00411034. Following Lipinski's Rule of Five, BAS 00411034 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 00411034?
The CAS number of BAS 00411034 is 299453-68-2.
What is the molecular formula of BAS 00411034?
The molecular formula of BAS 00411034 is C27H29NO4.
What is the molecular weight of BAS 00411034?
The molecular weight of BAS 00411034 is 431.21 g/mol.
Where can I buy BAS 00411034?
You can request a quote for BAS 00411034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00411034?
Yes, KEHONG BIO provides custom synthesis services for BAS 00411034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.