DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)
TL;DR: DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) (CAS 60557-50-8) is a chemical compound with molecular formula C22H29Cl2N3O4 and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;(2S)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid
Also Known As: DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1), N-Benzoyl-4-(bis(2-chloroethyl)amino)-DL-phenylalanine compd. with 2-aminoethanol (1:1), 2-aminoethanol; (2S)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid, 2-aminoethanol;(2S)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid, N-Benzoyl-4-[bis(2-chloroethyl)amino]-L-phenylalanine--2-aminoethan-1-ol (1/1)
| Molecular Formula | C22H29Cl2N3O4 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 2.3337 |
| Topological Polar Surface Area | 115.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 469.1535 |
| Heavy Atoms | 31 |
| Complexity | 768.0853 |
Chemical Identifiers
| CAS Number | 60557-50-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O.C(CO)N |
Product Overview
DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) (CAS 60557-50-8), with molecular formula C22H29Cl2N3O4 and molecular weight 469.15 g/mol. IUPAC: 2-aminoethanol;(2S)-2-benzamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoic acid.
Chemical Property Profile of DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)
Property Insights of DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)
The XLogP value of 2.3337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1). The TPSA of 115.89 Ų falls within the moderate polarity range, balancing permeability and solubility for DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) has 4 hydrogen bond donor(s) and 5 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 DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)?
The CAS number of DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) is 60557-50-8.
What is the molecular formula of DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)?
The molecular formula of DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) is C22H29Cl2N3O4.
What is the molecular weight of DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)?
The molecular weight of DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) is 469.15 g/mol.
Where can I buy DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)?
You can request a quote for DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for DL-Phenylalanine, N-benzoyl-4-(bis(2-chloroethyl)amino)-, compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.