![4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate structure](/static/products/5641/56411-62-2.webp)
4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate
TL;DR: 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate (CAS 56411-62-2) is a chemical compound with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylsulfanylphenyl) 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
Also Known As: 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate, (4-methylsulfanylphenyl) 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate
| Molecular Formula | C21H24N2O6S |
|---|---|
| Molecular Weight | 432.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 432.1355 |
| Heavy Atoms | 30 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 56411-62-2 |
|---|---|
| SMILES | CC(C(=O)OC1=CC=C(C=C1)SC)NC(=O)C(CO)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | UTPMZVGGVNZEHT-UHFFFAOYSA-N |
Product Overview
4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate (CAS 56411-62-2), with molecular formula C21H24N2O6S and molecular weight 432.14 g/mol. IUPAC: (4-methylsulfanylphenyl) 2-[[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoate.
Chemical Property Profile of 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate
Property Insights of 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate. Following Lipinski's Rule of Five, 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate has 3 hydrogen bond donor(s) and 7 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-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate?
The CAS number of 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate is 56411-62-2.
What is the molecular formula of 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate?
The molecular formula of 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate is C21H24N2O6S.
What is the molecular weight of 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate?
The molecular weight of 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate is 432.14 g/mol.
Where can I buy 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate?
You can request a quote for 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methylsulfanyl)phenyl N-[(benzyloxy)carbonyl]serylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.