BAS 00410938
TL;DR: BAS 00410938 (CAS 299451-40-4) is a chemical compound with molecular formula C28H31NO5 and molecular weight 461.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: BAS 00410938, benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, phenylmethyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
| Molecular Formula | C28H31NO5 |
|---|---|
| Molecular Weight | 461.22 g/mol |
| LogP | 5.0512 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 461.2202 |
| Heavy Atoms | 34 |
| Complexity | 1176.5376 |
Chemical Identifiers
| CAS Number | 299451-40-4 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=C(C=C3)OC)OC)C(=O)OCC4=CC=CC=C4 |
Product Overview
BAS 00410938 (CAS 299451-40-4), with molecular formula C28H31NO5 and molecular weight 461.22 g/mol. IUPAC: benzyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of BAS 00410938
Property Insights of BAS 00410938
The XLogP value of 5.0512 indicates that BAS 00410938 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00410938. Following Lipinski's Rule of Five, BAS 00410938 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00410938?
The CAS number of BAS 00410938 is 299451-40-4.
What is the molecular formula of BAS 00410938?
The molecular formula of BAS 00410938 is C28H31NO5.
What is the molecular weight of BAS 00410938?
The molecular weight of BAS 00410938 is 461.22 g/mol.
Where can I buy BAS 00410938?
You can request a quote for BAS 00410938 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00410938?
Yes, KEHONG BIO provides custom synthesis services for BAS 00410938 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.