BAS 00757113
TL;DR: BAS 00757113 (CAS 420100-22-7) is a chemical compound with molecular formula C17H20N4O3S2 and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: BAS 00757113, AB00094766-01, ethyl 2-[({[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(1-methyl-1H-pyrazole-3-carbonyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C17H20N4O3S2 |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.6639 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.0977 |
| Heavy Atoms | 26 |
| Complexity | 856.3103 |
Chemical Identifiers
| CAS Number | 420100-22-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)C3=NN(C=C3)C |
Product Overview
BAS 00757113 (CAS 420100-22-7), with molecular formula C17H20N4O3S2 and molecular weight 392.10 g/mol. IUPAC: ethyl 2-[(1-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of BAS 00757113
Property Insights of BAS 00757113
The XLogP value of 2.6639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00757113. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00757113. Following Lipinski's Rule of Five, BAS 00757113 has 2 hydrogen bond donor(s) and 6 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 00757113?
The CAS number of BAS 00757113 is 420100-22-7.
What is the molecular formula of BAS 00757113?
The molecular formula of BAS 00757113 is C17H20N4O3S2.
What is the molecular weight of BAS 00757113?
The molecular weight of BAS 00757113 is 392.10 g/mol.
Where can I buy BAS 00757113?
You can request a quote for BAS 00757113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00757113?
Yes, KEHONG BIO provides custom synthesis services for BAS 00757113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.