氯丙胍
TL;DR: 氯丙胍 (CAS 537-21-3) is a chemical compound with molecular formula C11H16Cl3N5 and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯丙胍
[N'-[N'-(3,4-dichlorophenyl)carbamimidoyl]carbamimidoyl]-propan-2-ylazanium chloride
Also Known As: Proguanil hydrochloride
| Molecular Formula | C11H16Cl3N5 |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | -1.77 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.04712 |
| Heavy Atoms | 19 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 537-21-3 |
|---|---|
| SMILES | CC(C)[NH2+]C(=NC(=NC1=CC(=C(C=C1)Cl)Cl)N)N.[Cl-] |
| InChIKey | SVJMILFDDBKCGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯丙胍 (CAS 537-21-3), with molecular formula C11H16Cl3N5 and molecular weight 323.05 g/mol. IUPAC: [N'-[N'-(3,4-dichlorophenyl)carbamimidoyl]carbamimidoyl]-propan-2-ylazanium chloride.
Chemical Property Profile of 氯丙胍
Property Insights of 氯丙胍
The XLogP value of -1.77 indicates that 氯丙胍 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯丙胍. Following Lipinski's Rule of Five, 氯丙胍 has 3 hydrogen bond donor(s) and 2 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 氯丙胍?
The CAS number of 氯丙胍 is 537-21-3.
What is the molecular formula of 氯丙胍?
The molecular formula of 氯丙胍 is C11H16Cl3N5.
What is the molecular weight of 氯丙胍?
The molecular weight of 氯丙胍 is 323.05 g/mol.
Where can I buy 氯丙胍?
You can request a quote for 氯丙胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯丙胍?
Yes, KEHONG BIO provides custom synthesis services for 氯丙胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.