AB00093967-01
TL;DR: AB00093967-01 (CAS 420091-99-2) is a chemical compound with molecular formula C22H28N2O4S and molecular weight 416.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(diethylcarbamoyl)-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate
Also Known As: AB00093967-01, methyl 5-(diethylcarbamoyl)-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate, methyl 5-(diethylcarbamoyl)-4-methyl-2-[(2-phenylbutanoyl)amino]thiophene-3-carboxylate, methyl 5-(N,N-diethylcarbamoyl)-4-methyl-2-(2-phenylbutanoylamino)thiophene-3- carboxylate
| Molecular Formula | C22H28N2O4S |
|---|---|
| Molecular Weight | 416.18 g/mol |
| LogP | 4.45742 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.17697 |
| Heavy Atoms | 29 |
| Complexity | 872.43744 |
Chemical Identifiers
| CAS Number | 420091-99-2 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC |
Product Overview
AB00093967-01 (CAS 420091-99-2), with molecular formula C22H28N2O4S and molecular weight 416.18 g/mol. IUPAC: methyl 5-(diethylcarbamoyl)-4-methyl-2-(2-phenylbutanoylamino)thiophene-3-carboxylate.
Chemical Property Profile of AB00093967-01
Property Insights of AB00093967-01
The XLogP value of 4.45742 indicates that AB00093967-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00093967-01. Following Lipinski's Rule of Five, AB00093967-01 has 1 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 AB00093967-01?
The CAS number of AB00093967-01 is 420091-99-2.
What is the molecular formula of AB00093967-01?
The molecular formula of AB00093967-01 is C22H28N2O4S.
What is the molecular weight of AB00093967-01?
The molecular weight of AB00093967-01 is 416.18 g/mol.
Where can I buy AB00093967-01?
You can request a quote for AB00093967-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00093967-01?
Yes, KEHONG BIO provides custom synthesis services for AB00093967-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.