![propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate structure](/static/products/7778/777877-99-3.webp)
propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
TL;DR: propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate (CAS 777877-99-3) is a chemical compound with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
Also Known As: propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate, ISOPROPYL 4-CYANO-5-[(4-METHOXY-3-NITROBENZOYL)AMINO]-3-METHYL-2-THIOPHENECARBOXYLATE, methylethyl 4-cyano-5-[(4-methoxy-3-nitrophenyl)carbonylamino]-3-methylthiophe ne-2-carboxylate, propan-2-yl 4-cyano-5-{[(4-methoxy-3-nitrophenyl)carbonyl]amino}-3-methylthiophene-2-carboxylate
| Molecular Formula | C18H17N3O6S |
|---|---|
| Molecular Weight | 403.08 g/mol |
| LogP | 3.6625 |
| Topological Polar Surface Area | 131.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.0838 |
| Heavy Atoms | 28 |
| Complexity | 989.9376 |
Chemical Identifiers
| CAS Number | 777877-99-3 |
|---|---|
| SMILES | CC1=C(SC(=C1C#N)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-])C(=O)OC(C)C |
Product Overview
propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate (CAS 777877-99-3), with molecular formula C18H17N3O6S and molecular weight 403.08 g/mol. IUPAC: propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate.
Chemical Property Profile of propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
Property Insights of propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate
The XLogP value of 3.6625 indicates that propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.56 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate has 1 hydrogen bond donor(s) and 8 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 propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The CAS number of propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate is 777877-99-3.
What is the molecular formula of propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The molecular formula of propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate is C18H17N3O6S.
What is the molecular weight of propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate?
The molecular weight of propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate is 403.08 g/mol.
Where can I buy propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate?
You can request a quote for propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 4-cyano-5-[(4-methoxy-3-nitrobenzoyl)amino]-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.