C18H26ClN7.2ClH
TL;DR: C18H26ClN7.2ClH (CAS 5437-20-7) is a chemical compound with molecular formula C18H28Cl3N7 and molecular weight 447.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]guanidine;dihydrochloride
Also Known As: Guanidine, 1-(p-chlorophenyl)-3-[4-[[2-(diethylamino)ethyl]amino]-6-methyl-2-pyrimidinyl]-, dihydrochloride, Pyrimidine, 2-(3-(p-chlorophenyl)guanidino)-4-(2-(diethylamino)ethylamino)-6-methyl-, dihydrochloride
| Molecular Formula | C18H28Cl3N7 |
|---|---|
| Molecular Weight | 447.15 g/mol |
| LogP | 4.09402 |
| Topological Polar Surface Area | 91.5 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.1472 |
| Heavy Atoms | 28 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 5437-20-7 |
|---|---|
| SMILES | CCN(CC)CCNC1=NC(=NC(=C1)C)N=C(N)NC2=CC=C(C=C2)Cl.Cl.Cl |
| InChIKey | VFDYVRAZHALLGT-UHFFFAOYSA-N |
Product Overview
C18H26ClN7.2ClH (CAS 5437-20-7), with molecular formula C18H28Cl3N7 and molecular weight 447.15 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[4-[2-(diethylamino)ethylamino]-6-methylpyrimidin-2-yl]guanidine;dihydrochloride.
Chemical Property Profile of C18H26ClN7.2ClH
Property Insights of C18H26ClN7.2ClH
The XLogP value of 4.09402 indicates that C18H26ClN7.2ClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.5 Ų falls within the moderate polarity range, balancing permeability and solubility for C18H26ClN7.2ClH. Following Lipinski's Rule of Five, C18H26ClN7.2ClH has 5 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 C18H26ClN7.2ClH?
The CAS number of C18H26ClN7.2ClH is 5437-20-7.
What is the molecular formula of C18H26ClN7.2ClH?
The molecular formula of C18H26ClN7.2ClH is C18H28Cl3N7.
What is the molecular weight of C18H26ClN7.2ClH?
The molecular weight of C18H26ClN7.2ClH is 447.15 g/mol.
Where can I buy C18H26ClN7.2ClH?
You can request a quote for C18H26ClN7.2ClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H26ClN7.2ClH?
Yes, KEHONG BIO provides custom synthesis services for C18H26ClN7.2ClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.