![ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE structure](/static/products/3292/329221-88-7.webp)
ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
TL;DR: ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 329221-88-7) is a chemical compound with molecular formula C21H23NO5S and molecular weight 401.13 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)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE, propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methylethyl 2-(2H-benzo[3,4-d]1,3-dioxolen-5-ylcarbonylamino)-6-methyl-4,5,6,7 -tetrahydrobenzo[b]thiophene-3-carboxylate, propan-2-yl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H23NO5S |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.4191 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.1297 |
| Heavy Atoms | 28 |
| Complexity | 933.11743 |
Chemical Identifiers
| CAS Number | 329221-88-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE (CAS 329221-88-7), with molecular formula C21H23NO5S and molecular weight 401.13 g/mol. IUPAC: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
Property Insights of ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE
The XLogP value of 4.4191 indicates that ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE. Following Lipinski's Rule of Five, ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE 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 ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The CAS number of ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 329221-88-7.
What is the molecular formula of ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular formula of ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is C21H23NO5S.
What is the molecular weight of ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
The molecular weight of ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE is 401.13 g/mol.
Where can I buy ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
You can request a quote for ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE?
Yes, KEHONG BIO provides custom synthesis services for ISOPROPYL 2-[(1,3-BENZODIOXOL-5-YLCARBONYL)AMINO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.