BIM-0046706.P001
TL;DR: BIM-0046706.P001 (CAS 6133-49-9) is a chemical compound with molecular formula C15H9ClN2O4S and molecular weight 348.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid
Also Known As: BIM-0046706.P001, AN-989/13874012, 4-chloro-3-{5-[(e)-(5-oxo-2-thioxoimidazolidin-4-ylidene)methyl]furan-2-yl}benzoic acid, (E)-4-Chloro-3-(5-((5-oxo-2-thioxoimidazolidin-4-ylidene)methyl)furan-2-yl)benzoic acid, 4-chloro-3-{5-[(5-oxo-2-thioxo(1,3-diazolidin-4-ylidene))methyl](2-furyl)}benz oic acid
| Molecular Formula | C15H9ClN2O4S |
|---|---|
| Molecular Weight | 348.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 347.99716 |
| Heavy Atoms | 23 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 6133-49-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)/C=C/3\C(=O)NC(=S)N3)Cl |
| InChIKey | WXCGAGUTTYDFDJ-IZZDOVSWSA-N |
Product Overview
BIM-0046706.P001 (CAS 6133-49-9), with molecular formula C15H9ClN2O4S and molecular weight 348.00 g/mol. IUPAC: 4-chloro-3-[5-[(E)-(5-oxo-2-sulfanylideneimidazolidin-4-ylidene)methyl]furan-2-yl]benzoic acid.
Chemical Property Profile of BIM-0046706.P001
Property Insights of BIM-0046706.P001
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0046706.P001. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0046706.P001. Following Lipinski's Rule of Five, BIM-0046706.P001 has 3 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-0046706.P001?
The CAS number of BIM-0046706.P001 is 6133-49-9.
What is the molecular formula of BIM-0046706.P001?
The molecular formula of BIM-0046706.P001 is C15H9ClN2O4S.
What is the molecular weight of BIM-0046706.P001?
The molecular weight of BIM-0046706.P001 is 348.00 g/mol.
Where can I buy BIM-0046706.P001?
You can request a quote for BIM-0046706.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0046706.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0046706.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.