RefChem:1094502
TL;DR: RefChem:1094502 (CAS 107638-88-0) is a chemical compound with molecular formula C15H15Cl4N5O4 and molecular weight 468.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-N-(2,2-dichloroethyl)ethanamine;2,4-dinitro-3-phenylpentanedinitrile
Also Known As: 2,4-dinitro-3-phenylpentanedinitrile, 2,4-Dinitro-3-phenylpentane dinitrile with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine, Pentanedinitrile, 2,4-dinitro-3-phenyl-, comp. with 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine (1:1), 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine;2,4-dinitro-3-phenylpentanedinitrile, 2,4-Dinitro-3-phenylpentane dinitrile with 2,2-dichloro-N-(2,2-dichlor oethyl)ethanamine
| Molecular Formula | C15H15Cl4N5O4 |
|---|---|
| Molecular Weight | 468.99 g/mol |
| LogP | 3.29136 |
| Topological Polar Surface Area | 145.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 468.98782 |
| Heavy Atoms | 28 |
| Complexity | 668.62305 |
Chemical Identifiers
| CAS Number | 107638-88-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(C#N)[N+](=O)[O-])C(C#N)[N+](=O)[O-].C(C(Cl)Cl)NCC(Cl)Cl |
Product Overview
RefChem:1094502 (CAS 107638-88-0), with molecular formula C15H15Cl4N5O4 and molecular weight 468.99 g/mol. IUPAC: 2,2-dichloro-N-(2,2-dichloroethyl)ethanamine;2,4-dinitro-3-phenylpentanedinitrile.
Chemical Property Profile of RefChem:1094502
Property Insights of RefChem:1094502
The XLogP value of 3.29136 indicates that RefChem:1094502 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.89 Ų indicates high polarity, suggesting RefChem:1094502 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1094502 has 1 hydrogen bond donor(s) and 7 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:1094502?
The CAS number of RefChem:1094502 is 107638-88-0.
What is the molecular formula of RefChem:1094502?
The molecular formula of RefChem:1094502 is C15H15Cl4N5O4.
What is the molecular weight of RefChem:1094502?
The molecular weight of RefChem:1094502 is 468.99 g/mol.
Where can I buy RefChem:1094502?
You can request a quote for RefChem:1094502 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094502?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094502 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.