RefChem:387981
TL;DR: RefChem:387981 (CAS 78850-57-4) is a chemical compound with molecular formula C23H31ClN4O2 and molecular weight 430.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-[5-(dimethylamino)-4-methyl-2,2-diphenylpentyl]-1-nitrosourea
Also Known As: N- -N'- -N-nitrosourea, LU 16-022, N-(2-Chloroethyl)-N'-(5-(dimethylamino)-4-methyl-2,2-diphenylpentyl)-N-nitrosourea, Urea, N-(2-chloroethyl)-N'-(5-(dimethylamino)-4-methyl-2,2-diphenylpentyl)-N-nitroso-, 1-(2-chloroethyl)-3-[5-(dimethylamino)-4-methyl-2,2-diphenylpentyl]-1-nitrosourea
| Molecular Formula | C23H31ClN4O2 |
|---|---|
| Molecular Weight | 430.21 g/mol |
| LogP | 4.4923 |
| Topological Polar Surface Area | 65.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 430.21356 |
| Heavy Atoms | 30 |
| Complexity | 746.8048 |
Chemical Identifiers
| CAS Number | 78850-57-4 |
|---|---|
| SMILES | CC(CC(CNC(=O)N(CCCl)N=O)(C1=CC=CC=C1)C2=CC=CC=C2)CN(C)C |
Product Overview
RefChem:387981 (CAS 78850-57-4), with molecular formula C23H31ClN4O2 and molecular weight 430.21 g/mol. IUPAC: 1-(2-chloroethyl)-3-[5-(dimethylamino)-4-methyl-2,2-diphenylpentyl]-1-nitrosourea.
Chemical Property Profile of RefChem:387981
Property Insights of RefChem:387981
The XLogP value of 4.4923 indicates that RefChem:387981 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.01 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:387981. Following Lipinski's Rule of Five, RefChem:387981 has 1 hydrogen bond donor(s) and 4 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:387981?
The CAS number of RefChem:387981 is 78850-57-4.
What is the molecular formula of RefChem:387981?
The molecular formula of RefChem:387981 is C23H31ClN4O2.
What is the molecular weight of RefChem:387981?
The molecular weight of RefChem:387981 is 430.21 g/mol.
Where can I buy RefChem:387981?
You can request a quote for RefChem:387981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:387981?
Yes, KEHONG BIO provides custom synthesis services for RefChem:387981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.