A2555/0108821
TL;DR: A2555/0108821 (CAS 347320-22-3) is a chemical compound with molecular formula C29H27NO4S and molecular weight 485.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: A2555/0108821, methyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-(3-(benzyloxy)phenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-[3-(benzyloxy)phenyl]-2-methyl-5-oxo-7-thien-2-yl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C29H27NO4S |
|---|---|
| Molecular Weight | 485.17 g/mol |
| LogP | 5.8617 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 485.16608 |
| Heavy Atoms | 35 |
| Complexity | 1307.4694 |
Chemical Identifiers
| CAS Number | 347320-22-3 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CS3)C4=CC(=CC=C4)OCC5=CC=CC=C5)C(=O)OC |
Product Overview
A2555/0108821 (CAS 347320-22-3), with molecular formula C29H27NO4S and molecular weight 485.17 g/mol. IUPAC: methyl 2-methyl-5-oxo-4-(3-phenylmethoxyphenyl)-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of A2555/0108821
Property Insights of A2555/0108821
The XLogP value of 5.8617 indicates that A2555/0108821 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 A2555/0108821. Following Lipinski's Rule of Five, A2555/0108821 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 A2555/0108821?
The CAS number of A2555/0108821 is 347320-22-3.
What is the molecular formula of A2555/0108821?
The molecular formula of A2555/0108821 is C29H27NO4S.
What is the molecular weight of A2555/0108821?
The molecular weight of A2555/0108821 is 485.17 g/mol.
Where can I buy A2555/0108821?
You can request a quote for A2555/0108821 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A2555/0108821?
Yes, KEHONG BIO provides custom synthesis services for A2555/0108821 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.