BIM-0039711.P001
TL;DR: BIM-0039711.P001 (CAS 312937-72-7) is a chemical compound with molecular formula C22H12N2O4S and molecular weight 400.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: BIM-0039711.P001, 2-(4-(benzo[d]thiazol-2-yl)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid, 2-(4-benzothiazol-2-ylphenyl)-1,3-dioxobenzo[c]azoline-5-carboxylic acid, 2-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid, 2-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
| Molecular Formula | C22H12N2O4S |
|---|---|
| Molecular Weight | 400.05 g/mol |
| LogP | 4.4621 |
| Topological Polar Surface Area | 87.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.0518 |
| Heavy Atoms | 29 |
| Complexity | 1291.4122 |
Chemical Identifiers
| CAS Number | 312937-72-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O |
Product Overview
BIM-0039711.P001 (CAS 312937-72-7), with molecular formula C22H12N2O4S and molecular weight 400.05 g/mol. IUPAC: 2-[4-(1,3-benzothiazol-2-yl)phenyl]-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of BIM-0039711.P001
Property Insights of BIM-0039711.P001
The XLogP value of 4.4621 indicates that BIM-0039711.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.57 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039711.P001. Following Lipinski's Rule of Five, BIM-0039711.P001 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 BIM-0039711.P001?
The CAS number of BIM-0039711.P001 is 312937-72-7.
What is the molecular formula of BIM-0039711.P001?
The molecular formula of BIM-0039711.P001 is C22H12N2O4S.
What is the molecular weight of BIM-0039711.P001?
The molecular weight of BIM-0039711.P001 is 400.05 g/mol.
Where can I buy BIM-0039711.P001?
You can request a quote for BIM-0039711.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039711.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039711.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.