2- -BENZOICACID
TL;DR: 2- -BENZOICACID (CAS 332358-89-1) is a chemical compound with molecular formula C21H23NO4S and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid
Also Known As: 2- -BENZOICACID, N-Methyl-4-nitrophthalimide, 2-(6,7-Dimethoxy-3,3-dimethyl-3,4-dihydro-isoquinolin-1-ylmethylsulfanyl)-benzoic acid, BAS 01365875, 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid
| Molecular Formula | C21H23NO4S |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 4.3181 |
| Topological Polar Surface Area | 68.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.13477 |
| Heavy Atoms | 27 |
| Complexity | 905.0498 |
Chemical Identifiers
| CAS Number | 332358-89-1 |
|---|---|
| SMILES | CC1(CC2=CC(=C(C=C2C(=N1)CSC3=CC=CC=C3C(=O)O)OC)OC)C |
Product Overview
2- -BENZOICACID (CAS 332358-89-1), with molecular formula C21H23NO4S and molecular weight 385.13 g/mol. IUPAC: 2-[(6,7-dimethoxy-3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]benzoic acid.
Chemical Property Profile of 2- -BENZOICACID
Property Insights of 2- -BENZOICACID
The XLogP value of 4.3181 indicates that 2- -BENZOICACID is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 2- -BENZOICACID. Following Lipinski's Rule of Five, 2- -BENZOICACID has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2- -BENZOICACID?
The CAS number of 2- -BENZOICACID is 332358-89-1.
What is the molecular formula of 2- -BENZOICACID?
The molecular formula of 2- -BENZOICACID is C21H23NO4S.
What is the molecular weight of 2- -BENZOICACID?
The molecular weight of 2- -BENZOICACID is 385.13 g/mol.
Where can I buy 2- -BENZOICACID?
You can request a quote for 2- -BENZOICACID directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2- -BENZOICACID?
Yes, KEHONG BIO provides custom synthesis services for 2- -BENZOICACID and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.