AB00101713-01
TL;DR: AB00101713-01 (CAS 305375-69-3) is a chemical compound with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00101713-01, 2-{[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2-(1,3-dioxoisoindolin-2-yl)propanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[2-(1,3-dioxobenzo[c]azolin-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro benzo[b]thiophene-3-carboxamide, 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C21H21N3O4S |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 2.595 |
| Topological Polar Surface Area | 109.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.12527 |
| Heavy Atoms | 29 |
| Complexity | 1023.1908 |
Chemical Identifiers
| CAS Number | 305375-69-3 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O |
Product Overview
AB00101713-01 (CAS 305375-69-3), with molecular formula C21H21N3O4S and molecular weight 411.13 g/mol. IUPAC: 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00101713-01
Property Insights of AB00101713-01
The XLogP value of 2.595 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00101713-01. The TPSA of 109.57 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00101713-01. Following Lipinski's Rule of Five, AB00101713-01 has 2 hydrogen bond donor(s) and 5 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 AB00101713-01?
The CAS number of AB00101713-01 is 305375-69-3.
What is the molecular formula of AB00101713-01?
The molecular formula of AB00101713-01 is C21H21N3O4S.
What is the molecular weight of AB00101713-01?
The molecular weight of AB00101713-01 is 411.13 g/mol.
Where can I buy AB00101713-01?
You can request a quote for AB00101713-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00101713-01?
Yes, KEHONG BIO provides custom synthesis services for AB00101713-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.