Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate
TL;DR: Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate (CAS 6712-60-3) is a chemical compound with molecular formula C14H22ClN5O2 and molecular weight 327.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]-methyl-propan-2-ylazanium acetate
Also Known As: 1-(p-Chlorophenyl)-5-isopropyl-5-methylbiguanide monoacetate, BIGUANIDE, 1-(p-CHLOROPHENYL)-5-ISOPROPYL-5-METHYL-, MONOACETATE, Biguanide, 5-(p-chlorophenyl)-1-isopropyl-1-methyl-, monoacetate, RefChem:1079853
| Molecular Formula | C14H22ClN5O2 |
|---|---|
| Molecular Weight | 327.15 g/mol |
| LogP | -0.7198 |
| Topological Polar Surface Area | 121.33 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.1462 |
| Heavy Atoms | 22 |
| Complexity | 536.6691 |
Chemical Identifiers
| CAS Number | 6712-60-3 |
|---|---|
| SMILES | CC(C)[NH+](C)/C(=N/C(=NC1=CC=C(C=C1)Cl)N)/N.CC(=O)[O-] |
Product Overview
Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate (CAS 6712-60-3), with molecular formula C14H22ClN5O2 and molecular weight 327.15 g/mol. IUPAC: [(E)-N'-[N'-(4-chlorophenyl)carbamimidoyl]carbamimidoyl]-methyl-propan-2-ylazanium acetate.
Chemical Property Profile of Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate
Property Insights of Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate
The XLogP value of -0.7198 indicates that Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.33 Ų falls within the moderate polarity range, balancing permeability and solubility for Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate. Following Lipinski's Rule of Five, Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate has 3 hydrogen bond donor(s) and 3 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 Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate?
The CAS number of Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate is 6712-60-3.
What is the molecular formula of Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate?
The molecular formula of Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate is C14H22ClN5O2.
What is the molecular weight of Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate?
The molecular weight of Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate is 327.15 g/mol.
Where can I buy Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate?
You can request a quote for Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate?
Yes, KEHONG BIO provides custom synthesis services for Biguanide, 1-(p-chlorophenyl)-5-isopropyl-5-methyl-, monoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.