C17H21BrN4O4S
TL;DR: C17H21BrN4O4S (CAS 309285-91-4) is a chemical compound with molecular formula C17H21BrN4O4S and molecular weight 456.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: BAS 03022053, methyl 2-(4-bromo-1-methyl-1H-pyrazole-3-carboxamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, METHYL 2-{[(4-BROMO-1-METHYL-1H-PYRAZOL-3-YL)CARBONYL]AMINO}-5-[(DIETHYLAMINO)CARBONYL]-4-METHYL-3-THIOPHENECARBOXYLATE, methyl 2-{[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5-[(diethylamino)carbonyl]-4-methylthiophene-3-carboxylate
| Molecular Formula | C17H21BrN4O4S |
|---|---|
| Molecular Weight | 456.05 g/mol |
| LogP | 3.07342 |
| Topological Polar Surface Area | 93.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.0467 |
| Heavy Atoms | 27 |
| Complexity | 885.8707 |
Chemical Identifiers
| CAS Number | 309285-91-4 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=NN(C=C2Br)C)C(=O)OC)C |
Product Overview
C17H21BrN4O4S (CAS 309285-91-4), with molecular formula C17H21BrN4O4S and molecular weight 456.05 g/mol. IUPAC: methyl 2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of C17H21BrN4O4S
Property Insights of C17H21BrN4O4S
The XLogP value of 3.07342 indicates that C17H21BrN4O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.53 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H21BrN4O4S. Following Lipinski's Rule of Five, C17H21BrN4O4S has 1 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 C17H21BrN4O4S?
The CAS number of C17H21BrN4O4S is 309285-91-4.
What is the molecular formula of C17H21BrN4O4S?
The molecular formula of C17H21BrN4O4S is C17H21BrN4O4S.
What is the molecular weight of C17H21BrN4O4S?
The molecular weight of C17H21BrN4O4S is 456.05 g/mol.
Where can I buy C17H21BrN4O4S?
You can request a quote for C17H21BrN4O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H21BrN4O4S?
Yes, KEHONG BIO provides custom synthesis services for C17H21BrN4O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.