4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)
TL;DR: 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1) (CAS 60557-46-2) is a chemical compound with molecular formula C21H35Cl2N3O4 and molecular weight 463.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-aminoethanol;(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(hexanoylamino)propanoic acid
Also Known As: 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1), DL-Phenylalanine, 4-(bis(2-chloroethyl)amino)-N-(1-oxohexyl)-, compd. with 2-aminoethanol (1:1), 2-aminoethanol; (2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(hexanoylamino)propanoic acid, 4-[Bis(2-chloroethyl)amino]-N-hexanoyl-L-phenylalanine--2-aminoethan-1-ol (1/1), RefChem:339301
| Molecular Formula | C21H35Cl2N3O4 |
|---|---|
| Molecular Weight | 463.20 g/mol |
| LogP | 2.6002 |
| Topological Polar Surface Area | 115.89 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 463.20047 |
| Heavy Atoms | 30 |
| Complexity | 580.11914 |
Chemical Identifiers
| CAS Number | 60557-46-2 |
|---|---|
| SMILES | CCCCCC(=O)N[C@@H](CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)O.C(CO)N |
Product Overview
4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1) (CAS 60557-46-2), with molecular formula C21H35Cl2N3O4 and molecular weight 463.20 g/mol. IUPAC: 2-aminoethanol;(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-2-(hexanoylamino)propanoic acid.
Chemical Property Profile of 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)
Property Insights of 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)
The XLogP value of 2.6002 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1). The TPSA of 115.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1). Following Lipinski's Rule of Five, 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine 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 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)?
The CAS number of 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1) is 60557-46-2.
What is the molecular formula of 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)?
The molecular formula of 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1) is C21H35Cl2N3O4.
What is the molecular weight of 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)?
The molecular weight of 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1) is 463.20 g/mol.
Where can I buy 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)?
You can request a quote for 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine 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 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(Bis(2-chloroethyl)amino)-N-(1-oxohexyl)-DL-phenylalanine compd. with 2-aminoethanol (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.