![Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- structure](/static/products/7610/76109-97-2.webp)
Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-
TL;DR: Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- (CAS 76109-97-2) is a chemical compound with molecular formula C18H21Cl2N3O and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-phenylurea
Also Known As: Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-, 1-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-phenylurea, 1-(N,N-Di-2'-chloroethylamino)-3-methyl-4-phenylureidobenzene, N-{4-[Bis(2-chloroethyl)amino]-2-methylphenyl}-N'-phenylurea
| Molecular Formula | C18H21Cl2N3O |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 44.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 365.10617 |
| Heavy Atoms | 24 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 76109-97-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCCl)CCCl)NC(=O)NC2=CC=CC=C2 |
| InChIKey | JHURZJGOAFZJJK-UHFFFAOYSA-N |
Product Overview
Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- (CAS 76109-97-2), with molecular formula C18H21Cl2N3O and molecular weight 365.11 g/mol. IUPAC: 1-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-3-phenylurea.
Chemical Property Profile of Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-
Property Insights of Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-
The XLogP value of 4.2 indicates that Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.4 Ų, Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- has 2 hydrogen bond donor(s) and 2 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 Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-?
The CAS number of Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- is 76109-97-2.
What is the molecular formula of Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-?
The molecular formula of Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- is C18H21Cl2N3O.
What is the molecular weight of Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-?
The molecular weight of Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- is 365.11 g/mol.
Where can I buy Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-?
You can request a quote for Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-[4-[bis(2-chloroethyl)amino]-2-methylphenyl]-N'-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.