AB00311553-02
TL;DR: AB00311553-02 (CAS 317325-48-7) is a chemical compound with molecular formula C22H26N2O6S and molecular weight 446.15 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)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
Also Known As: AB00311553-02, A2139/0089848, propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate, isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-5-[(diethylamino)carbonyl]-4-methyl-3-thiophenecarboxylate, PROPAN-2-YL 2-(2H-1,3-BENZODIOXOLE-5-AMIDO)-5-(DIETHYLCARBAMOYL)-4-METHYLTHIOPHENE-3-CARBOXYLATE
| Molecular Formula | C22H26N2O6S |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | 4.08472 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.15115 |
| Heavy Atoms | 31 |
| Complexity | 1009.67035 |
Chemical Identifiers
| CAS Number | 317325-48-7 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)OC(C)C)C |
Product Overview
AB00311553-02 (CAS 317325-48-7), with molecular formula C22H26N2O6S and molecular weight 446.15 g/mol. IUPAC: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate.
Chemical Property Profile of AB00311553-02
Property Insights of AB00311553-02
The XLogP value of 4.08472 indicates that AB00311553-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00311553-02. Following Lipinski's Rule of Five, AB00311553-02 has 1 hydrogen bond donor(s) and 7 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 AB00311553-02?
The CAS number of AB00311553-02 is 317325-48-7.
What is the molecular formula of AB00311553-02?
The molecular formula of AB00311553-02 is C22H26N2O6S.
What is the molecular weight of AB00311553-02?
The molecular weight of AB00311553-02 is 446.15 g/mol.
Where can I buy AB00311553-02?
You can request a quote for AB00311553-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00311553-02?
Yes, KEHONG BIO provides custom synthesis services for AB00311553-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.