3-(4-chlorophenoxy)propanamidine
TL;DR: 3-(4-chlorophenoxy)propanamidine (CAS 1016885-03-2) is a chemical compound with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dimethyl-2-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
Also Known As: 3-(4-chlorophenoxy)propanamidine, ethyl 4,5-dimethyl-2-({[(5-methyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)-3-thiophenecarboxylate, ethyl 4,5-dimethyl-2-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate
| Molecular Formula | C20H22N4O3S2 |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 4.16156 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.11334 |
| Heavy Atoms | 29 |
| Complexity | 1028.0283 |
Chemical Identifiers
| CAS Number | 1016885-03-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C |
Product Overview
3-(4-chlorophenoxy)propanamidine (CAS 1016885-03-2), with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol. IUPAC: ethyl 4,5-dimethyl-2-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate.
Chemical Property Profile of 3-(4-chlorophenoxy)propanamidine
Property Insights of 3-(4-chlorophenoxy)propanamidine
The XLogP value of 4.16156 indicates that 3-(4-chlorophenoxy)propanamidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenoxy)propanamidine. Following Lipinski's Rule of Five, 3-(4-chlorophenoxy)propanamidine has 1 hydrogen bond donor(s) and 7 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 3-(4-chlorophenoxy)propanamidine?
The CAS number of 3-(4-chlorophenoxy)propanamidine is 1016885-03-2.
What is the molecular formula of 3-(4-chlorophenoxy)propanamidine?
The molecular formula of 3-(4-chlorophenoxy)propanamidine is C20H22N4O3S2.
What is the molecular weight of 3-(4-chlorophenoxy)propanamidine?
The molecular weight of 3-(4-chlorophenoxy)propanamidine is 430.11 g/mol.
Where can I buy 3-(4-chlorophenoxy)propanamidine?
You can request a quote for 3-(4-chlorophenoxy)propanamidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chlorophenoxy)propanamidine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenoxy)propanamidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.