![3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid structure](/static/products/6332/6332-20-3.webp)
3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid
TL;DR: 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid (CAS 6332-20-3) is a chemical compound with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid
Also Known As: N-[(Benzyloxy)carbonyl]-beta-alanyl-S-benzylcysteine, 3-benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid
| Molecular Formula | C21H24N2O5S |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 416.1406 |
| Heavy Atoms | 29 |
| Complexity | 519.0 |
Chemical Identifiers
| CAS Number | 6332-20-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NCCC(=O)NC(CSCC2=CC=CC=C2)C(=O)O |
| InChIKey | UFYJQBQTSUKXFW-UHFFFAOYSA-N |
Product Overview
3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid (CAS 6332-20-3), with molecular formula C21H24N2O5S and molecular weight 416.14 g/mol. IUPAC: 3-benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid.
Chemical Property Profile of 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid
Property Insights of 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid. Following Lipinski's Rule of Five, 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid has 3 hydrogen bond donor(s) and 6 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 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid?
The CAS number of 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid is 6332-20-3.
What is the molecular formula of 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid?
The molecular formula of 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid is C21H24N2O5S.
What is the molecular weight of 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid?
The molecular weight of 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid is 416.14 g/mol.
Where can I buy 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid?
You can request a quote for 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylsulfanyl-2-[3-(phenylmethoxycarbonylamino)propanoylamino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.