AB00334748-02
TL;DR: AB00334748-02 (CAS 691387-77-6) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2,4-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AB00334748-02, F3098-4392, 2-(4-(2,4-dimethylphenoxy)butanamido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[4-(2,4-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[4-(2,4-DIMETHYLPHENOXY)BUTANAMIDO]-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.38634 |
| Topological Polar Surface Area | 81.42 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 888.1473 |
Chemical Identifiers
| CAS Number | 691387-77-6 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCCOC3=C(C=C(C=C3)C)C |
Product Overview
AB00334748-02 (CAS 691387-77-6), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: 2-[4-(2,4-dimethylphenoxy)butanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AB00334748-02
Property Insights of AB00334748-02
The XLogP value of 4.38634 indicates that AB00334748-02 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.42 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00334748-02. Following Lipinski's Rule of Five, AB00334748-02 has 2 hydrogen bond donor(s) and 4 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 AB00334748-02?
The CAS number of AB00334748-02 is 691387-77-6.
What is the molecular formula of AB00334748-02?
The molecular formula of AB00334748-02 is C22H28N2O3S.
What is the molecular weight of AB00334748-02?
The molecular weight of AB00334748-02 is 400.18 g/mol.
Where can I buy AB00334748-02?
You can request a quote for AB00334748-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00334748-02?
Yes, KEHONG BIO provides custom synthesis services for AB00334748-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.