A3675/0155847
TL;DR: A3675/0155847 (CAS 1005135-82-9) is a chemical compound with molecular formula C31H27ClF2N2O5S and molecular weight 612.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate
Also Known As: A3675/0155847, diethyl (4R,6R,7R)-2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate, DIETHYL 2-AMINO-4-(3-CHLOROPHENYL)-1-(2,4-DIFLUOROPHENYL)-5-OXO-7-(2-THIENYL)-1,4,5,6,7,8-HEXAHYDRO-3,6-QUINOLINEDICARBOXYLATE, diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
| Molecular Formula | C31H27ClF2N2O5S |
|---|---|
| Molecular Weight | 612.13 g/mol |
| LogP | 6.2069 |
| Topological Polar Surface Area | 98.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 612.1297 |
| Heavy Atoms | 42 |
| Complexity | 1620.9227 |
Chemical Identifiers
| CAS Number | 1005135-82-9 |
|---|---|
| SMILES | CCOC(=O)C1C(CC2=C(C1=O)C(C(=C(N2C3=C(C=C(C=C3)F)F)N)C(=O)OCC)C4=CC(=CC=C4)Cl)C5=CC=CS5 |
Product Overview
A3675/0155847 (CAS 1005135-82-9), with molecular formula C31H27ClF2N2O5S and molecular weight 612.13 g/mol. IUPAC: diethyl 2-amino-4-(3-chlorophenyl)-1-(2,4-difluorophenyl)-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydroquinoline-3,6-dicarboxylate.
Chemical Property Profile of A3675/0155847
Property Insights of A3675/0155847
The XLogP value of 6.2069 indicates that A3675/0155847 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.93 Ų falls within the moderate polarity range, balancing permeability and solubility for A3675/0155847. Following Lipinski's Rule of Five, A3675/0155847 has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A3675/0155847?
The CAS number of A3675/0155847 is 1005135-82-9.
What is the molecular formula of A3675/0155847?
The molecular formula of A3675/0155847 is C31H27ClF2N2O5S.
What is the molecular weight of A3675/0155847?
The molecular weight of A3675/0155847 is 612.13 g/mol.
Where can I buy A3675/0155847?
You can request a quote for A3675/0155847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3675/0155847?
Yes, KEHONG BIO provides custom synthesis services for A3675/0155847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.