A3452/0146594
TL;DR: A3452/0146594 (CAS 956785-34-5) is a chemical compound with molecular formula C19H23ClN4O3S2 and molecular weight 454.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-chloro-1-ethylpyrazole-5-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: A3452/0146594, methyl 2-(3-(4-chloro-1-ethyl-1H-pyrazole-5-carbonyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-({[(4-chloro-1-ethyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, METHYL 2-[({[(4-CHLORO-1-ETHYL-1H-PYRAZOL-5-YL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[(4-chloro-2-ethylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C19H23ClN4O3S2 |
|---|---|
| Molecular Weight | 454.09 g/mol |
| LogP | 4.1903 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.09 |
| Heavy Atoms | 29 |
| Complexity | 938.27454 |
Chemical Identifiers
| CAS Number | 956785-34-5 |
|---|---|
| SMILES | CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC |
Product Overview
A3452/0146594 (CAS 956785-34-5), with molecular formula C19H23ClN4O3S2 and molecular weight 454.09 g/mol. IUPAC: methyl 2-[(4-chloro-1-ethylpyrazole-5-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of A3452/0146594
Property Insights of A3452/0146594
The XLogP value of 4.1903 indicates that A3452/0146594 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for A3452/0146594. Following Lipinski's Rule of Five, A3452/0146594 has 2 hydrogen bond donor(s) and 6 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 A3452/0146594?
The CAS number of A3452/0146594 is 956785-34-5.
What is the molecular formula of A3452/0146594?
The molecular formula of A3452/0146594 is C19H23ClN4O3S2.
What is the molecular weight of A3452/0146594?
The molecular weight of A3452/0146594 is 454.09 g/mol.
Where can I buy A3452/0146594?
You can request a quote for A3452/0146594 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3452/0146594?
Yes, KEHONG BIO provides custom synthesis services for A3452/0146594 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.