A3050/0128793
TL;DR: A3050/0128793 (CAS 670232-06-1) is a chemical compound with molecular formula C24H31NO3S and molecular weight 413.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cycloheptyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: A3050/0128793, cycloheptyl 2,7,7-trimethyl-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, CYCLOHEPTYL 2,7,7-TRIMETHYL-5-OXO-4-(2-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3-QUINOLINECARBOXYLATE, CYCLOHEPTYL 2,7,7-TRIMETHYL-5-OXO-4-(THIOPHEN-2-YL)-1,4,6,8-TETRAHYDROQUINOLINE-3-CARBOXYLATE, cycloheptyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate
| Molecular Formula | C24H31NO3S |
|---|---|
| Molecular Weight | 413.20 g/mol |
| LogP | 5.6181 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 413.20245 |
| Heavy Atoms | 29 |
| Complexity | 854.6968 |
Chemical Identifiers
| CAS Number | 670232-06-1 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=CS3)C(=O)OC4CCCCCC4 |
Product Overview
A3050/0128793 (CAS 670232-06-1), with molecular formula C24H31NO3S and molecular weight 413.20 g/mol. IUPAC: cycloheptyl 2,7,7-trimethyl-5-oxo-4-thiophen-2-yl-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of A3050/0128793
Property Insights of A3050/0128793
The XLogP value of 5.6181 indicates that A3050/0128793 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, A3050/0128793 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3050/0128793 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 A3050/0128793?
The CAS number of A3050/0128793 is 670232-06-1.
What is the molecular formula of A3050/0128793?
The molecular formula of A3050/0128793 is C24H31NO3S.
What is the molecular weight of A3050/0128793?
The molecular weight of A3050/0128793 is 413.20 g/mol.
Where can I buy A3050/0128793?
You can request a quote for A3050/0128793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3050/0128793?
Yes, KEHONG BIO provides custom synthesis services for A3050/0128793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.