DL,DL-Asalin
TL;DR: DL,DL-Asalin (CAS 531-77-1) is a chemical compound with molecular formula C22H33Cl2N3O4 and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate
Also Known As: Asaline, Asalin, DL,DL-Asalin, L,L-Asaline, CIFELIN
| Molecular Formula | C22H33Cl2N3O4 |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 14 |
| Exact Mass | 473.1848 |
| Heavy Atoms | 31 |
| Complexity | 563.0 |
Chemical Identifiers
| CAS Number | 531-77-1 |
|---|---|
| SMILES | CCOC(=O)C(C(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C |
| InChIKey | LGLLXTFYYXSARU-UHFFFAOYSA-N |
Product Overview
DL,DL-Asalin (CAS 531-77-1), with molecular formula C22H33Cl2N3O4 and molecular weight 473.18 g/mol. IUPAC: ethyl 2-[[2-acetamido-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate.
Chemical Property Profile of DL,DL-Asalin
Property Insights of DL,DL-Asalin
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DL,DL-Asalin. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for DL,DL-Asalin. Following Lipinski's Rule of Five, DL,DL-Asalin has 2 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,DL-Asalin?
The CAS number of DL,DL-Asalin is 531-77-1.
What is the molecular formula of DL,DL-Asalin?
The molecular formula of DL,DL-Asalin is C22H33Cl2N3O4.
What is the molecular weight of DL,DL-Asalin?
The molecular weight of DL,DL-Asalin is 473.18 g/mol.
Where can I buy DL,DL-Asalin?
You can request a quote for DL,DL-Asalin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DL,DL-Asalin?
Yes, KEHONG BIO provides custom synthesis services for DL,DL-Asalin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.