RefChem:117630
TL;DR: RefChem:117630 (CAS 58795-54-3) is a chemical compound with molecular formula C17H27ClN4O5 and molecular weight 402.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-formamidopropyl)-[(4-methoxy-3-nitrophenyl)methyl]-methylazanium chloride
Also Known As: Benzenemethanaminium, N,N-bis(3-(formylamino)propyl)-4-methoxy-N-methyl-3-nitro-, chloride, BIS[3-(FORMYLAMINO)PROPYL](4-METHOXY-3-NITROBENZYL)METHYLAMMONIUM CHLORIDE, Benzenemethanaminium, N,N-bis(3-(formylamino)propyl)-4-methoxy-N-methyl-3-nitro-, chloride (1:1), Bis(3-(formylamino)propyl)(4-methoxy-3-nitrobenzyl)methylammonium chloride, Benzenemethanaminium, N,N-bis[3-(formylamino)propyl]-4-methoxy-N-methyl-3-nitro-, chloride
| Molecular Formula | C17H27ClN4O5 |
|---|---|
| Molecular Weight | 402.17 g/mol |
| LogP | -2.17 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 402.167 |
| Heavy Atoms | 27 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 58795-54-3 |
|---|---|
| SMILES | C[N+](CCCNC=O)(CCCNC=O)CC1=CC(=C(C=C1)OC)[N+](=O)[O-].[Cl-] |
| InChIKey | HIFAZIVOMHDTBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:117630 (CAS 58795-54-3), with molecular formula C17H27ClN4O5 and molecular weight 402.17 g/mol. IUPAC: bis(3-formamidopropyl)-[(4-methoxy-3-nitrophenyl)methyl]-methylazanium chloride.
Chemical Property Profile of RefChem:117630
Property Insights of RefChem:117630
The XLogP value of -2.17 indicates that RefChem:117630 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:117630. Following Lipinski's Rule of Five, RefChem:117630 has 2 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 RefChem:117630?
The CAS number of RefChem:117630 is 58795-54-3.
What is the molecular formula of RefChem:117630?
The molecular formula of RefChem:117630 is C17H27ClN4O5.
What is the molecular weight of RefChem:117630?
The molecular weight of RefChem:117630 is 402.17 g/mol.
Where can I buy RefChem:117630?
You can request a quote for RefChem:117630 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117630?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117630 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.