AB00114297-01
TL;DR: AB00114297-01 (CAS 375830-49-2) is a chemical compound with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00114297-01, AJ-292/40706629, ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-{[(4-methoxyanilino)carbothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(4-methoxyphenyl)thioureido)-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C20H24N2O3S2 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 4.8671 |
| Topological Polar Surface Area | 59.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.12283 |
| Heavy Atoms | 27 |
| Complexity | 830.4975 |
Chemical Identifiers
| CAS Number | 375830-49-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=S)NC3=CC=C(C=C3)OC |
Product Overview
AB00114297-01 (CAS 375830-49-2), with molecular formula C20H24N2O3S2 and molecular weight 404.12 g/mol. IUPAC: ethyl 2-[(4-methoxyphenyl)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00114297-01
Property Insights of AB00114297-01
The XLogP value of 4.8671 indicates that AB00114297-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.59 Ų, AB00114297-01 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AB00114297-01 has 2 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 AB00114297-01?
The CAS number of AB00114297-01 is 375830-49-2.
What is the molecular formula of AB00114297-01?
The molecular formula of AB00114297-01 is C20H24N2O3S2.
What is the molecular weight of AB00114297-01?
The molecular weight of AB00114297-01 is 404.12 g/mol.
Where can I buy AB00114297-01?
You can request a quote for AB00114297-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00114297-01?
Yes, KEHONG BIO provides custom synthesis services for AB00114297-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.