NCIOpen2_007450
TL;DR: NCIOpen2_007450 (CAS 78195-98-9) is a chemical compound with molecular formula C8H14Cl4NO2P and molecular weight 326.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-chloroethyl)-N-[chloromethyl(2-chloroprop-2-enoxy)phosphoryl]ethanamine
Also Known As: NCIOpen2_007450, [4-(aminomethyl)-4-ethylcyclohexyl]methanamine, 2-chloroprop-2-en-1-yl n,n-bis(2-chloroethyl)-p-(chloromethyl)phosphonamidate, 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(2-chloroprop-2-enoxy)phosphoryl]ethanamine
| Molecular Formula | C8H14Cl4NO2P |
|---|---|
| Molecular Weight | 326.95 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 326.95163 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 78195-98-9 |
|---|---|
| SMILES | C=C(COP(=O)(CCl)N(CCCl)CCCl)Cl |
| InChIKey | USGSFNVFPPOOKG-UHFFFAOYSA-N |
Product Overview
NCIOpen2_007450 (CAS 78195-98-9), with molecular formula C8H14Cl4NO2P and molecular weight 326.95 g/mol. IUPAC: 2-chloro-N-(2-chloroethyl)-N-[chloromethyl(2-chloroprop-2-enoxy)phosphoryl]ethanamine.
Chemical Property Profile of NCIOpen2_007450
Property Insights of NCIOpen2_007450
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCIOpen2_007450. With a topological polar surface area (TPSA) of 29.5 Ų, NCIOpen2_007450 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCIOpen2_007450 has 0 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 NCIOpen2_007450?
The CAS number of NCIOpen2_007450 is 78195-98-9.
What is the molecular formula of NCIOpen2_007450?
The molecular formula of NCIOpen2_007450 is C8H14Cl4NO2P.
What is the molecular weight of NCIOpen2_007450?
The molecular weight of NCIOpen2_007450 is 326.95 g/mol.
Where can I buy NCIOpen2_007450?
You can request a quote for NCIOpen2_007450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCIOpen2_007450?
Yes, KEHONG BIO provides custom synthesis services for NCIOpen2_007450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.