alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt
TL;DR: alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt (CAS 54872-77-4) is a chemical compound with molecular formula C10H9NNa2O2S2 and molecular weight 284.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;(2S)-3-phenyl-2-(sulfidocarbothioylamino)propanoate
Also Known As: L-N-(Dithiocarboxy)-3-phenylalanine disodium salt, L-Phenylalanine, N-(dithiocarboxy)-, disodium salt, ALANINE, N-(DITHIOCARBOXY)-3-PHENYL-, L-, DISODIUM SALT, N-[(Sodiothio)carbonothioyl]-L-phenylalanine sodium salt, Disodium (2S)-2-(carbodithioatoamino)-3-phenylpropanoate
| Molecular Formula | C10H9NNa2O2S2 |
|---|---|
| Molecular Weight | 284.99 g/mol |
| LogP | -6.223 |
| Topological Polar Surface Area | 52.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.987 |
| Heavy Atoms | 17 |
| Complexity | 362.58334 |
Chemical Identifiers
| CAS Number | 54872-77-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=S)[S-].[Na+].[Na+] |
Product Overview
alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt (CAS 54872-77-4), with molecular formula C10H9NNa2O2S2 and molecular weight 284.99 g/mol. IUPAC: disodium;(2S)-3-phenyl-2-(sulfidocarbothioylamino)propanoate.
Chemical Property Profile of alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt
Property Insights of alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt
The XLogP value of -6.223 indicates that alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.16 Ų, alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt has 1 hydrogen bond donor(s) and 4 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 alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt?
The CAS number of alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt is 54872-77-4.
What is the molecular formula of alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt?
The molecular formula of alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt is C10H9NNa2O2S2.
What is the molecular weight of alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt?
The molecular weight of alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt is 284.99 g/mol.
Where can I buy alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt?
You can request a quote for alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt?
Yes, KEHONG BIO provides custom synthesis services for alanine, n-(dithiocarboxy)-3-phenyl-, l-, disodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.