AB00685435-01
TL;DR: AB00685435-01 (CAS 380342-95-0) is a chemical compound with molecular formula C23H26N4O3S2 and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AB00685435-01, F1008-0240, ethyl 2-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamothioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-(3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C23H26N4O3S2 |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 4.41032 |
| Topological Polar Surface Area | 77.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.14462 |
| Heavy Atoms | 32 |
| Complexity | 1224.3352 |
Chemical Identifiers
| CAS Number | 380342-95-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C |
Product Overview
AB00685435-01 (CAS 380342-95-0), with molecular formula C23H26N4O3S2 and molecular weight 470.14 g/mol. IUPAC: ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AB00685435-01
Property Insights of AB00685435-01
The XLogP value of 4.41032 indicates that AB00685435-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.29 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00685435-01. Following Lipinski's Rule of Five, AB00685435-01 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 AB00685435-01?
The CAS number of AB00685435-01 is 380342-95-0.
What is the molecular formula of AB00685435-01?
The molecular formula of AB00685435-01 is C23H26N4O3S2.
What is the molecular weight of AB00685435-01?
The molecular weight of AB00685435-01 is 470.14 g/mol.
Where can I buy AB00685435-01?
You can request a quote for AB00685435-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00685435-01?
Yes, KEHONG BIO provides custom synthesis services for AB00685435-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.