AN-465/41165848
TL;DR: AN-465/41165848 (CAS 445418-89-3) is a chemical compound with molecular formula C18H18BrN3O3S2 and molecular weight 467.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: AN-465/41165848, 2-({[(5-bromo-2-methoxybenzoyl)amino]carbothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[(5-bromo-2-methoxyphenyl)carbonyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-({[(5-bromo-2-methoxyphenyl)carbonylamino]thioxomethyl}amino)-4,5,6,7-tetrah ydrobenzo[b]thiophene-3-carboxamide
| Molecular Formula | C18H18BrN3O3S2 |
|---|---|
| Molecular Weight | 467.00 g/mol |
| LogP | 3.6237 |
| Topological Polar Surface Area | 93.45 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.9973 |
| Heavy Atoms | 27 |
| Complexity | 926.8159 |
Chemical Identifiers
| CAS Number | 445418-89-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)N |
Product Overview
AN-465/41165848 (CAS 445418-89-3), with molecular formula C18H18BrN3O3S2 and molecular weight 467.00 g/mol. IUPAC: 2-[(5-bromo-2-methoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of AN-465/41165848
Property Insights of AN-465/41165848
The XLogP value of 3.6237 indicates that AN-465/41165848 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.45 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-465/41165848. Following Lipinski's Rule of Five, AN-465/41165848 has 3 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 AN-465/41165848?
The CAS number of AN-465/41165848 is 445418-89-3.
What is the molecular formula of AN-465/41165848?
The molecular formula of AN-465/41165848 is C18H18BrN3O3S2.
What is the molecular weight of AN-465/41165848?
The molecular weight of AN-465/41165848 is 467.00 g/mol.
Where can I buy AN-465/41165848?
You can request a quote for AN-465/41165848 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-465/41165848?
Yes, KEHONG BIO provides custom synthesis services for AN-465/41165848 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.