S-Bimanylcysteine
TL;DR: S-Bimanylcysteine (CAS 87623-39-0) is a chemical compound with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanoic acid
Also Known As: S-Bimanylcysteine, S-Bimane-L-cysteine, J1.001.614B, (2R)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanoic acid, L-Cysteine, S-((2,5,6-trimethyl-1,7-dioxo-1H,7H-pyrazolo(1,2-a)pyrazol-3-yl)methyl)-
| Molecular Formula | C13H17N3O4S |
|---|---|
| Molecular Weight | 311.09 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.09396 |
| Heavy Atoms | 21 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 87623-39-0 |
|---|---|
| SMILES | CC1=C(N2C(=C(C(=O)N2C1=O)C)CSC[C@@H](C(=O)O)N)C |
| InChIKey | NMURTHXSOSFFBJ-VIFPVBQESA-N |
Product Overview
S-Bimanylcysteine (CAS 87623-39-0), with molecular formula C13H17N3O4S and molecular weight 311.09 g/mol. IUPAC: (2R)-2-amino-3-[(1,2,6-trimethyl-3,5-dioxopyrazolo[1,2-a]pyrazol-7-yl)methylsulfanyl]propanoic acid.
Chemical Property Profile of S-Bimanylcysteine
Property Insights of S-Bimanylcysteine
The XLogP value of -2.3 indicates that S-Bimanylcysteine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for S-Bimanylcysteine. Following Lipinski's Rule of Five, S-Bimanylcysteine has 2 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 S-Bimanylcysteine?
The CAS number of S-Bimanylcysteine is 87623-39-0.
What is the molecular formula of S-Bimanylcysteine?
The molecular formula of S-Bimanylcysteine is C13H17N3O4S.
What is the molecular weight of S-Bimanylcysteine?
The molecular weight of S-Bimanylcysteine is 311.09 g/mol.
Where can I buy S-Bimanylcysteine?
You can request a quote for S-Bimanylcysteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-Bimanylcysteine?
Yes, KEHONG BIO provides custom synthesis services for S-Bimanylcysteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.