A3462/0146887
TL;DR: A3462/0146887 (CAS 957012-85-0) is a chemical compound with molecular formula C18H21BrN4O3S2 and molecular weight 484.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(4-bromo-1-methylpyrazole-5-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
Also Known As: A3462/0146887, methyl 2-({[(4-bromo-1-methyl-1H-pyrazol-5-yl)carbonyl]carbamothioyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, methyl 2-(3-(4-bromo-1-methyl-1H-pyrazole-5-carbonyl)thioureido)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate, METHYL 2-[({[(4-BROMO-1-METHYL-1H-PYRAZOL-5-YL)CARBONYL]AMINO}CARBOTHIOYL)AMINO]-4,5,6,7,8,9-HEXAHYDROCYCLOOCTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[(4-bromo-2-methylpyrazole-3-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate
| Molecular Formula | C18H21BrN4O3S2 |
|---|---|
| Molecular Weight | 484.02 g/mol |
| LogP | 3.8165 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 484.02386 |
| Heavy Atoms | 28 |
| Complexity | 902.8176 |
Chemical Identifiers
| CAS Number | 957012-85-0 |
|---|---|
| SMILES | CN1C(=C(C=N1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OC |
Product Overview
A3462/0146887 (CAS 957012-85-0), with molecular formula C18H21BrN4O3S2 and molecular weight 484.02 g/mol. IUPAC: methyl 2-[(4-bromo-1-methylpyrazole-5-carbonyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate.
Chemical Property Profile of A3462/0146887
Property Insights of A3462/0146887
The XLogP value of 3.8165 indicates that A3462/0146887 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 A3462/0146887. Following Lipinski's Rule of Five, A3462/0146887 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 A3462/0146887?
The CAS number of A3462/0146887 is 957012-85-0.
What is the molecular formula of A3462/0146887?
The molecular formula of A3462/0146887 is C18H21BrN4O3S2.
What is the molecular weight of A3462/0146887?
The molecular weight of A3462/0146887 is 484.02 g/mol.
Where can I buy A3462/0146887?
You can request a quote for A3462/0146887 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3462/0146887?
Yes, KEHONG BIO provides custom synthesis services for A3462/0146887 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.