BAS 00372082
TL;DR: BAS 00372082 (CAS 331272-72-1) is a chemical compound with molecular formula C15H17N3O3S2 and molecular weight 351.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylcarbamothioyl]sulfanylacetic acid
Also Known As: BAS 00372082, ((1,5-DIMETHYL-3-OXO-2-PH-PYRAZOL-4-YL)-ME-THIOCARBAMOYLSULFANYL)-ACETIC ACID, 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylcarbamothioyl]sulfanylacetic acid, {[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)carbamothioyl]sulfanyl}acetic acid, 2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)(methyl)carbamothioyl)thio)acetic acid
| Molecular Formula | C15H17N3O3S2 |
|---|---|
| Molecular Weight | 351.07 g/mol |
| LogP | 2.02332 |
| Topological Polar Surface Area | 67.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.07114 |
| Heavy Atoms | 23 |
| Complexity | 796.2887 |
Chemical Identifiers
| CAS Number | 331272-72-1 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)C(=S)SCC(=O)O |
Product Overview
BAS 00372082 (CAS 331272-72-1), with molecular formula C15H17N3O3S2 and molecular weight 351.07 g/mol. IUPAC: 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-methylcarbamothioyl]sulfanylacetic acid.
Chemical Property Profile of BAS 00372082
Property Insights of BAS 00372082
The XLogP value of 2.02332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00372082. The TPSA of 67.47 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00372082. Following Lipinski's Rule of Five, BAS 00372082 has 1 hydrogen bond donor(s) and 4 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 BAS 00372082?
The CAS number of BAS 00372082 is 331272-72-1.
What is the molecular formula of BAS 00372082?
The molecular formula of BAS 00372082 is C15H17N3O3S2.
What is the molecular weight of BAS 00372082?
The molecular weight of BAS 00372082 is 351.07 g/mol.
Where can I buy BAS 00372082?
You can request a quote for BAS 00372082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00372082?
Yes, KEHONG BIO provides custom synthesis services for BAS 00372082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.