AB00311089-02
TL;DR: AB00311089-02 (CAS 445025-72-9) is a chemical compound with molecular formula C19H21NO5S and molecular weight 375.11 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-ethyl-5-methylthiophene-3-carboxylate
Also Known As: AB00311089-02, propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate, isopropyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylate, methylethyl 2-(2H-benzo[3,4-d]1,3-dioxolan-5-ylcarbonylamino)-4-ethyl-5-methyl thiophene-3-carboxylate, propan-2-yl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C19H21NO5S |
|---|---|
| Molecular Weight | 375.11 g/mol |
| LogP | 4.16512 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.11404 |
| Heavy Atoms | 26 |
| Complexity | 855.8546 |
Chemical Identifiers
| CAS Number | 445025-72-9 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC(C)C)NC(=O)C2=CC3=C(C=C2)OCO3)C |
Product Overview
AB00311089-02 (CAS 445025-72-9), with molecular formula C19H21NO5S and molecular weight 375.11 g/mol. IUPAC: propan-2-yl 2-(1,3-benzodioxole-5-carbonylamino)-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of AB00311089-02
Property Insights of AB00311089-02
The XLogP value of 4.16512 indicates that AB00311089-02 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 AB00311089-02. Following Lipinski's Rule of Five, AB00311089-02 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 AB00311089-02?
The CAS number of AB00311089-02 is 445025-72-9.
What is the molecular formula of AB00311089-02?
The molecular formula of AB00311089-02 is C19H21NO5S.
What is the molecular weight of AB00311089-02?
The molecular weight of AB00311089-02 is 375.11 g/mol.
Where can I buy AB00311089-02?
You can request a quote for AB00311089-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00311089-02?
Yes, KEHONG BIO provides custom synthesis services for AB00311089-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.