dichlorobenzamil
TL;DR: dichlorobenzamil (CAS 90689-42-2) is a chemical compound with molecular formula C13H12Cl3N7O and molecular weight 387.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diamino-6-chloro-N-[N'-[(2,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
Also Known As: dichlorobenzamil, DichlorobenzamilHCl, 2,4-Dichlorobenzamil, 2 ,4 -Dichlorobenzamil, KBio2_000029
| Molecular Formula | C13H12Cl3N7O |
|---|---|
| Molecular Weight | 387.02 g/mol |
| LogP | 1.8459 |
| Topological Polar Surface Area | 145.3 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.01688 |
| Heavy Atoms | 24 |
| Complexity | 825.4529 |
Chemical Identifiers
| CAS Number | 90689-42-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1Cl)Cl)CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N |
Product Overview
dichlorobenzamil (CAS 90689-42-2), with molecular formula C13H12Cl3N7O and molecular weight 387.02 g/mol. IUPAC: 3,5-diamino-6-chloro-N-[N'-[(2,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide.
Chemical Property Profile of dichlorobenzamil
Property Insights of dichlorobenzamil
The XLogP value of 1.8459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dichlorobenzamil. The TPSA of 145.3 Ų indicates high polarity, suggesting dichlorobenzamil may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, dichlorobenzamil has 4 hydrogen bond donor(s) and 6 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 dichlorobenzamil?
The CAS number of dichlorobenzamil is 90689-42-2.
What is the molecular formula of dichlorobenzamil?
The molecular formula of dichlorobenzamil is C13H12Cl3N7O.
What is the molecular weight of dichlorobenzamil?
The molecular weight of dichlorobenzamil is 387.02 g/mol.
Where can I buy dichlorobenzamil?
You can request a quote for dichlorobenzamil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dichlorobenzamil?
Yes, KEHONG BIO provides custom synthesis services for dichlorobenzamil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.