BIM-0039686.P001
TL;DR: BIM-0039686.P001 (CAS 5975-90-6) is a chemical compound with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate
Also Known As: BIM-0039686.P001, methyl 3-[3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate, methyl 3-(3-{[2-(acetylimino)-4-oxo-1,3-thiazolidin-5-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzoate, Methyl 3-{3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5(4H)-ylidene)methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoate
| Molecular Formula | C20H19N3O4S |
|---|---|
| Molecular Weight | 397.11 g/mol |
| LogP | 2.98714 |
| Topological Polar Surface Area | 89.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.10962 |
| Heavy Atoms | 28 |
| Complexity | 1049.7153 |
Chemical Identifiers
| CAS Number | 5975-90-6 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)/C=C\3/C(=O)N=C(S3)NC(=O)C |
Product Overview
BIM-0039686.P001 (CAS 5975-90-6), with molecular formula C20H19N3O4S and molecular weight 397.11 g/mol. IUPAC: methyl 3-[3-[(Z)-(2-acetamido-4-oxo-1,3-thiazol-5-ylidene)methyl]-2,5-dimethylpyrrol-1-yl]benzoate.
Chemical Property Profile of BIM-0039686.P001
Property Insights of BIM-0039686.P001
The XLogP value of 2.98714 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BIM-0039686.P001. The TPSA of 89.76 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0039686.P001. Following Lipinski's Rule of Five, BIM-0039686.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-0039686.P001?
The CAS number of BIM-0039686.P001 is 5975-90-6.
What is the molecular formula of BIM-0039686.P001?
The molecular formula of BIM-0039686.P001 is C20H19N3O4S.
What is the molecular weight of BIM-0039686.P001?
The molecular weight of BIM-0039686.P001 is 397.11 g/mol.
Where can I buy BIM-0039686.P001?
You can request a quote for BIM-0039686.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0039686.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0039686.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.