4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl
TL;DR: 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl (CAS 142058-12-6) is a chemical compound with molecular formula C19H21Cl2NO and molecular weight 349.1 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[bis(2-chloroethyl)amino]-1-(4-phenylphenyl)propan-1-one
Also Known As: Toxin 5, 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl, 4-(3/'-Di(2-chloroethyl)aminopropionyl)biphenyl, 3-[bis(2-chloroethyl)amino]-1-(4-phenylphenyl)propan-1-one, 1-(1,1'-Biphenyl)-4-yl-3-(bis(2-chloroethyl)amino)-1-propanone
Technical Specifications
| Molecular Formula | C19H21Cl2NO |
| Molecular Weight | 349.1 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 349.1 Da |
| Heavy Atoms | 23 |
| Complexity | 330.0 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCN(CCCl)CCCl |
| InChIKey | IXHADCPJRQNDGG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl
Property Insights of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl
The XLogP value of 4.4 indicates that 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl 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
What is the CAS number of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl?
The CAS number of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl is 142058-12-6.
What is the molecular formula of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl?
The molecular formula of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl is C19H21Cl2NO.
What is the molecular weight of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl?
The molecular weight of 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl is 349.1 g/mol.
Where can I buy 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl?
You can request a quote for 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl?
Yes, CoreyChem provides custom synthesis services for 4-(3'-Di(2-chloroethyl)aminopropionyl)biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.