![propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate structure](/static/products/4449/444937-31-9.webp)
propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
TL;DR: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (CAS 444937-31-9) is a chemical compound with molecular formula C25H24N2O6S and molecular weight 480.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Also Known As: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate, isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-methyl-5-(2-toluidinocarbonyl)thiophene-3-carboxylate, ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-4-METHYL-5-(2-TOLUIDINOCARBONYL)-3-THIOPHENECARBOXYLATE, propan-2-yl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
| Molecular Formula | C25H24N2O6S |
|---|---|
| Molecular Weight | 480.14 g/mol |
| LogP | 5.16344 |
| Topological Polar Surface Area | 102.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 480.1355 |
| Heavy Atoms | 34 |
| Complexity | 1280.4054 |
Chemical Identifiers
| CAS Number | 444937-31-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC(C)C)C |
Product Overview
propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate (CAS 444937-31-9), with molecular formula C25H24N2O6S and molecular weight 480.14 g/mol. IUPAC: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate.
Chemical Property Profile of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
Property Insights of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
The XLogP value of 5.16344 indicates that propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.96 Ų falls within the moderate polarity range, balancing permeability and solubility for propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate. Following Lipinski's Rule of Five, propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The CAS number of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is 444937-31-9.
What is the molecular formula of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The molecular formula of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is C25H24N2O6S.
What is the molecular weight of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
The molecular weight of propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate is 480.14 g/mol.
Where can I buy propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
You can request a quote for propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-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 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.