C14H20Cl3N5O2.xClH
TL;DR: C14H20Cl3N5O2.xClH (CAS 150374-62-2) is a chemical compound with molecular formula C14H21Cl4N5O2 and molecular weight 431.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[amino-[3-(2,4,5-trichlorophenoxy)propoxyamino]methylidene]-2-propan-2-ylguanidine;hydrochloride
Also Known As: PS 15, WR 250417, N-(3(2,4,5-Trichlorophenoxy)propyloxy)-N'-(1-methylethyl)imidocarbonimidicdiamide hydrochloride
| Molecular Formula | C14H21Cl4N5O2 |
|---|---|
| Molecular Weight | 431.04 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.042 |
| Heavy Atoms | 25 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 150374-62-2 |
|---|---|
| SMILES | CC(C)N=C(N)N=C(N)NOCCCOC1=CC(=C(C=C1Cl)Cl)Cl.Cl |
| InChIKey | GQODDWZUHQLGEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
C14H20Cl3N5O2.xClH (CAS 150374-62-2), with molecular formula C14H21Cl4N5O2 and molecular weight 431.04 g/mol. IUPAC: 1-[amino-[3-(2,4,5-trichlorophenoxy)propoxyamino]methylidene]-2-propan-2-ylguanidine;hydrochloride.
Chemical Property Profile of C14H20Cl3N5O2.xClH
Property Insights of C14H20Cl3N5O2.xClH
The XLogP value of 3.4 indicates that C14H20Cl3N5O2.xClH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C14H20Cl3N5O2.xClH. Following Lipinski's Rule of Five, C14H20Cl3N5O2.xClH has 4 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 C14H20Cl3N5O2.xClH?
The CAS number of C14H20Cl3N5O2.xClH is 150374-62-2.
What is the molecular formula of C14H20Cl3N5O2.xClH?
The molecular formula of C14H20Cl3N5O2.xClH is C14H21Cl4N5O2.
What is the molecular weight of C14H20Cl3N5O2.xClH?
The molecular weight of C14H20Cl3N5O2.xClH is 431.04 g/mol.
Where can I buy C14H20Cl3N5O2.xClH?
You can request a quote for C14H20Cl3N5O2.xClH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C14H20Cl3N5O2.xClH?
Yes, KEHONG BIO provides custom synthesis services for C14H20Cl3N5O2.xClH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.