RefChem:117606
TL;DR: RefChem:117606 (CAS 40948-32-1) is a chemical compound with molecular formula C17H29ClN4O3 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-4-methoxyphenyl)methyl-bis(3-formamidopropyl)-methylazanium chloride
Also Known As: bis[3- propyl]methylammoniumchloride, (3-AMINO-4-METHOXYBENZYL)BIS[3-(FORMYLAMINO)PROPYL]METHYLAMMONIUM CHLORIDE, Benzenemethanaminium, 3-amino-N,N-bis(3-(formylamino)propyl)-4-methoxy-N-methyl-, chloride, (3-Amino-4-methoxybenzyl)bis(3-(formylamino)propyl)methylammonium chloride, (3-amino-4-methoxyphenyl)methyl-bis(3-formamidopropyl)-methylazanium chloride
| Molecular Formula | C17H29ClN4O3 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | -2.4998 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 372.1928 |
| Heavy Atoms | 25 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 40948-32-1 |
|---|---|
| SMILES | C[N+](CCCNC=O)(CCCNC=O)CC1=CC(=C(C=C1)OC)N.[Cl-] |
| InChIKey | JEYDIXVYLDTKKR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:117606 (CAS 40948-32-1), with molecular formula C17H29ClN4O3 and molecular weight 372.19 g/mol. IUPAC: (3-amino-4-methoxyphenyl)methyl-bis(3-formamidopropyl)-methylazanium chloride.
Chemical Property Profile of RefChem:117606
Property Insights of RefChem:117606
The XLogP value of -2.4998 indicates that RefChem:117606 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117606. Following Lipinski's Rule of Five, RefChem:117606 has 3 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 RefChem:117606?
The CAS number of RefChem:117606 is 40948-32-1.
What is the molecular formula of RefChem:117606?
The molecular formula of RefChem:117606 is C17H29ClN4O3.
What is the molecular weight of RefChem:117606?
The molecular weight of RefChem:117606 is 372.19 g/mol.
Where can I buy RefChem:117606?
You can request a quote for RefChem:117606 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117606?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117606 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.