Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate
TL;DR: Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate (CAS 64047-52-5) is a chemical compound with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone;hydrate
Also Known As: Aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl ketone hydrate, KETONE, AZIRIDINYL 3-(BIS(2-CHLOROETHYL)AMINO)-p-TOLYL, HYDRATE, AZIRIDIN-1-YL-[3-[BIS(2-CHLOROETHYL)AMINO]-4-METHYLPHENYL]METHANONEHYDRATE, aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone hydrate, (Aziridin-1-yl){3-[bis(2-chloroethyl)amino]-4-methylphenyl}methanone--water (1/1)
| Molecular Formula | C14H20Cl2N2O2 |
|---|---|
| Molecular Weight | 318.09 g/mol |
| LogP | 1.91 |
| Topological Polar Surface Area | 24.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.09018 |
| Heavy Atoms | 20 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 64047-52-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CC2)N(CCCl)CCCl.O |
| InChIKey | RRGCKMHKMCUKAH-UHFFFAOYSA-N |
Product Overview
Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate (CAS 64047-52-5), with molecular formula C14H20Cl2N2O2 and molecular weight 318.09 g/mol. IUPAC: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone;hydrate.
Chemical Property Profile of Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate
Property Insights of Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate
The XLogP value of 1.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate. With a topological polar surface area (TPSA) of 24.3 Ų, Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate has 1 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 Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate?
The CAS number of Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate is 64047-52-5.
What is the molecular formula of Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate?
The molecular formula of Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate is C14H20Cl2N2O2.
What is the molecular weight of Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate?
The molecular weight of Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate is 318.09 g/mol.
Where can I buy Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate?
You can request a quote for Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate?
Yes, KEHONG BIO provides custom synthesis services for Ketone, aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.