![2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid structure](/static/products/5555/55559-23-4.webp)
2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid
TL;DR: 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid (CAS 55559-23-4) is a chemical compound with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid
Also Known As: S-Benzyl-N-[(benzyloxy)carbonyl]cysteinylglycine, 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid
| Molecular Formula | C20H22N2O5S |
|---|---|
| Molecular Weight | 402.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 402.12494 |
| Heavy Atoms | 28 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 55559-23-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=CC=C2)C(=O)NCC(=O)O |
| InChIKey | SCHXDIJMIOESRJ-UHFFFAOYSA-N |
Product Overview
2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid (CAS 55559-23-4), with molecular formula C20H22N2O5S and molecular weight 402.12 g/mol. IUPAC: 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid.
Chemical Property Profile of 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid
Property Insights of 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid. Following Lipinski's Rule of Five, 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic 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 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid?
The CAS number of 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid is 55559-23-4.
What is the molecular formula of 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid?
The molecular formula of 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid is C20H22N2O5S.
What is the molecular weight of 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid?
The molecular weight of 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid is 402.12 g/mol.
Where can I buy 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid?
You can request a quote for 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-Benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.