Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-
TL;DR: Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- (CAS 21447-86-9) is a chemical compound with molecular formula C14H18Cl2N2O and molecular weight 300.08 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
Also Known As: AZIRIDINE, 1-(3-(BIS(2-CHLOROETHYL)AMINO-p-TOLUOYL)-, 1-(3-(Bis(2-chloroethyl)amino-4-methylbenzoyl)aziridine), Ketone, 1-aziridinyl 3-(bis(2-chloroethyl)amino)-p-tolyl, Benzenesulfonic acid,4-methyl-3-nitro-,methyl ester, aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone
| Molecular Formula | C14H18Cl2N2O |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 300.07962 |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 21447-86-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)N2CC2)N(CCCl)CCCl |
| InChIKey | VTYLNSUQSLUEGV-UHFFFAOYSA-N |
Product Overview
Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- (CAS 21447-86-9), with molecular formula C14H18Cl2N2O and molecular weight 300.08 g/mol. IUPAC: aziridin-1-yl-[3-[bis(2-chloroethyl)amino]-4-methylphenyl]methanone.
Chemical Property Profile of Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-
Property Insights of Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-. With a topological polar surface area (TPSA) of 23.3 Ų, Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- has 0 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 Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-?
The CAS number of Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- is 21447-86-9.
What is the molecular formula of Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-?
The molecular formula of Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- is C14H18Cl2N2O.
What is the molecular weight of Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-?
The molecular weight of Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- is 300.08 g/mol.
Where can I buy Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-?
You can request a quote for Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Aziridine, 1-(3-(bis(2-chloroethyl)amino-p-toluoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.