F1812-0090
TL;DR: F1812-0090 (CAS 868229-95-2) is a chemical compound with molecular formula C19H21Cl2N5O2S and molecular weight 453.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[[4-(2-methoxyethyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: F1812-0090, N-(3,4-dichlorophenyl)-2-{[4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,4-dichlorophenyl)-2-((4-(2-methoxyethyl)-5-((1-methyl-1H-pyrrol-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3,4-dichlorophenyl)-2-[[4-(2-methoxyethyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-3,4-dichlorophenyl[4-(2-methoxyethyl)-5-[(1-methyl-2-pyrrolyl)methyl]-4H-1,2,4-triazol-3-ylthio]acetamide
| Molecular Formula | C19H21Cl2N5O2S |
|---|---|
| Molecular Weight | 453.08 g/mol |
| LogP | 3.8914 |
| Topological Polar Surface Area | 73.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 453.0793 |
| Heavy Atoms | 29 |
| Complexity | 988.8924 |
Chemical Identifiers
| CAS Number | 868229-95-2 |
|---|---|
| SMILES | CN1C=CC=C1CC2=NN=C(N2CCOC)SCC(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
F1812-0090 (CAS 868229-95-2), with molecular formula C19H21Cl2N5O2S and molecular weight 453.08 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[[4-(2-methoxyethyl)-5-[(1-methylpyrrol-2-yl)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of F1812-0090
Property Insights of F1812-0090
The XLogP value of 3.8914 indicates that F1812-0090 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.97 Ų falls within the moderate polarity range, balancing permeability and solubility for F1812-0090. Following Lipinski's Rule of Five, F1812-0090 has 1 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 F1812-0090?
The CAS number of F1812-0090 is 868229-95-2.
What is the molecular formula of F1812-0090?
The molecular formula of F1812-0090 is C19H21Cl2N5O2S.
What is the molecular weight of F1812-0090?
The molecular weight of F1812-0090 is 453.08 g/mol.
Where can I buy F1812-0090?
You can request a quote for F1812-0090 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1812-0090?
Yes, KEHONG BIO provides custom synthesis services for F1812-0090 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.