A3462/0146888
TL;DR: A3462/0146888 (CAS 957047-52-8) is a chemical compound with molecular formula C18H22N4O3S2 and molecular weight 406.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: A3462/0146888, methyl 2-({[(1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-(3-(1-methyl-1H-pyrazole-5-carbonyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, METHYL 2-[({[(1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[(2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C18H22N4O3S2 |
|---|---|
| Molecular Weight | 406.11 g/mol |
| LogP | 3.054 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 406.11334 |
| Heavy Atoms | 27 |
| Complexity | 872.08374 |
Chemical Identifiers
| CAS Number | 957047-52-8 |
|---|---|
| SMILES | CN1C(=CC=N1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC |
Product Overview
A3462/0146888 (CAS 957047-52-8), with molecular formula C18H22N4O3S2 and molecular weight 406.11 g/mol. IUPAC: methyl 2-[(2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of A3462/0146888
Property Insights of A3462/0146888
The XLogP value of 3.054 indicates that A3462/0146888 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 A3462/0146888. Following Lipinski's Rule of Five, A3462/0146888 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 A3462/0146888?
The CAS number of A3462/0146888 is 957047-52-8.
What is the molecular formula of A3462/0146888?
The molecular formula of A3462/0146888 is C18H22N4O3S2.
What is the molecular weight of A3462/0146888?
The molecular weight of A3462/0146888 is 406.11 g/mol.
Where can I buy A3462/0146888?
You can request a quote for A3462/0146888 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3462/0146888?
Yes, KEHONG BIO provides custom synthesis services for A3462/0146888 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.