Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-
TL;DR: Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- (CAS 16454-53-8) is a chemical compound with molecular formula C16H22Cl2N2O2 and molecular weight 344.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-[bis(2-chloroethyl)amino]-2-methylphenyl]-morpholin-4-ylmethanone
Also Known As: Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-, 4-(5-(Bis(2-chloroethyl)amino)-o-toluoyl)morpholine, [5-[bis(2-chloroethyl)amino]-2-methylphenyl]-morpholin-4-ylmethanone, {5-[bis(2-chloroethyl)amino]-2-methylphenyl}(morpholin-4-yl)methanone, RefChem:357804
| Molecular Formula | C16H22Cl2N2O2 |
|---|---|
| Molecular Weight | 344.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 344.10583 |
| Heavy Atoms | 22 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 16454-53-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N(CCCl)CCCl)C(=O)N2CCOCC2 |
| InChIKey | XEBTYTXHEIYRFQ-UHFFFAOYSA-N |
Product Overview
Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- (CAS 16454-53-8), with molecular formula C16H22Cl2N2O2 and molecular weight 344.11 g/mol. IUPAC: [5-[bis(2-chloroethyl)amino]-2-methylphenyl]-morpholin-4-ylmethanone.
Chemical Property Profile of Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-
Property Insights of Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-. With a topological polar surface area (TPSA) of 32.8 Ų, Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- 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 Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-?
The CAS number of Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- is 16454-53-8.
What is the molecular formula of Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-?
The molecular formula of Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- is C16H22Cl2N2O2.
What is the molecular weight of Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-?
The molecular weight of Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- is 344.11 g/mol.
Where can I buy Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-?
You can request a quote for Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Morpholine, 4-(5-(bis(2-chloroethyl)amino)-o-toluoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.