BIM-0030861.P001
TL;DR: BIM-0030861.P001 (CAS 314039-00-4) is a chemical compound with molecular formula C21H12N2O8S and molecular weight 452.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(2-nitrophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid
Also Known As: BIM-0030861.P001, 4-{[2-(2-nitrophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]sulfonyl}benzoic acid, 4-[2-(2-nitrophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid, 4-((2-(2-nitrophenyl)-1,3-dioxoisoindolin-5-yl)sulfonyl)benzoic acid, 4-[2-(2-NITROPHENYL)-1,3-DIOXOISOINDOL-5-YLSULFONYL]BENZOIC ACID
| Molecular Formula | C21H12N2O8S |
|---|---|
| Molecular Weight | 452.03 g/mol |
| LogP | 2.9264 |
| Topological Polar Surface Area | 151.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.03143 |
| Heavy Atoms | 32 |
| Complexity | 1428.4087 |
Chemical Identifiers
| CAS Number | 314039-00-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)O)[N+](=O)[O-] |
Product Overview
BIM-0030861.P001 (CAS 314039-00-4), with molecular formula C21H12N2O8S and molecular weight 452.03 g/mol. IUPAC: 4-[2-(2-nitrophenyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid.
Chemical Property Profile of BIM-0030861.P001
Property Insights of BIM-0030861.P001
The XLogP value of 2.9264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0030861.P001. The TPSA of 151.96 Ų indicates high polarity, suggesting BIM-0030861.P001 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BIM-0030861.P001 has 1 hydrogen bond donor(s) and 7 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-0030861.P001?
The CAS number of BIM-0030861.P001 is 314039-00-4.
What is the molecular formula of BIM-0030861.P001?
The molecular formula of BIM-0030861.P001 is C21H12N2O8S.
What is the molecular weight of BIM-0030861.P001?
The molecular weight of BIM-0030861.P001 is 452.03 g/mol.
Where can I buy BIM-0030861.P001?
You can request a quote for BIM-0030861.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0030861.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0030861.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.