AB00114477-01
TL;DR: AB00114477-01 (CAS 431068-22-3) is a chemical compound with molecular formula C21H25NO7S and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[2-(2-methoxyphenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: AB00114477-01, diethyl 5-{[2-(2-methoxyphenoxy)propanoyl]amino}-3-methylthiophene-2,4-dicarboxylate, Diethyl 5-[2-(2-methoxyphenoxy)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate, diethyl 5-[2-(2-methoxyphenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C21H25NO7S |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 3.82452 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 435.13516 |
| Heavy Atoms | 30 |
| Complexity | 922.07385 |
Chemical Identifiers
| CAS Number | 431068-22-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)OC2=CC=CC=C2OC |
Product Overview
AB00114477-01 (CAS 431068-22-3), with molecular formula C21H25NO7S and molecular weight 435.14 g/mol. IUPAC: diethyl 5-[2-(2-methoxyphenoxy)propanoylamino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of AB00114477-01
Property Insights of AB00114477-01
The XLogP value of 3.82452 indicates that AB00114477-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00114477-01. Following Lipinski's Rule of Five, AB00114477-01 has 1 hydrogen bond donor(s) and 8 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 AB00114477-01?
The CAS number of AB00114477-01 is 431068-22-3.
What is the molecular formula of AB00114477-01?
The molecular formula of AB00114477-01 is C21H25NO7S.
What is the molecular weight of AB00114477-01?
The molecular weight of AB00114477-01 is 435.14 g/mol.
Where can I buy AB00114477-01?
You can request a quote for AB00114477-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114477-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114477-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.