2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine
TL;DR: 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine (CAS 70547-19-2) is a chemical compound with molecular formula C26H22ClNO2S and molecular weight 447.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzoic acid
Also Known As: 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine, Benzoic acid, 2-((8-chloro-3,4-dihydro-3-methyl-4-phenyl-(1)benzothieno(3,2-c)pyridin-2(1H)-ylmethyl)-, 2-[(8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzoic acid, 2-[(8-Chloro-3-methyl-4-phenyl-3,4-dihydro[1]benzothieno[3,2-c]pyridin-2(1H)-yl)methyl]benzoic acid, RefChem:326695
| Molecular Formula | C26H22ClNO2S |
|---|---|
| Molecular Weight | 447.11 g/mol |
| LogP | 6.7891 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.106 |
| Heavy Atoms | 31 |
| Complexity | 1267.1434 |
Chemical Identifiers
| CAS Number | 70547-19-2 |
|---|---|
| SMILES | CC1C(C2=C(CN1CC3=CC=CC=C3C(=O)O)C4=C(S2)C=CC(=C4)Cl)C5=CC=CC=C5 |
Product Overview
2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine (CAS 70547-19-2), with molecular formula C26H22ClNO2S and molecular weight 447.11 g/mol. IUPAC: 2-[(8-chloro-3-methyl-4-phenyl-3,4-dihydro-1H-[1]benzothiolo[3,2-c]pyridin-2-yl)methyl]benzoic acid.
Chemical Property Profile of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine
Property Insights of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine
The XLogP value of 6.7891 indicates that 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine?
The CAS number of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine is 70547-19-2.
What is the molecular formula of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine?
The molecular formula of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine is C26H22ClNO2S.
What is the molecular weight of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine?
The molecular weight of 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine is 447.11 g/mol.
Where can I buy 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine?
You can request a quote for 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-o-Carboxybenzyl-8-chloro-3-methyl-4-phenyl-1,2,3,4-tetrahydro-benzo(b)thieno(3,2-c)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.