5-Mercapto-N,N,3-trimethyl-L-histidine
TL;DR: 5-Mercapto-N,N,3-trimethyl-L-histidine (CAS 105496-34-2) is a chemical compound with molecular formula C9H15N3O2S and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-(dimethylamino)-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid
Also Known As: Ovothiol C, Ovothiol, L-ovothiol C, 5-Hydroxy Buspirone, N,N,3-trimethyl-5-sulfanyl-L-histidine
| Molecular Formula | C9H15N3O2S |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 59.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.0885 |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 105496-34-2 |
|---|---|
| SMILES | CN1C=NC(=C1C[C@@H](C(=O)O)N(C)C)S |
| InChIKey | ONAWDGXCZMVYMN-ZETCQYMHSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Mercapto-N,N,3-trimethyl-L-histidine (CAS 105496-34-2), with molecular formula C9H15N3O2S and molecular weight 229.09 g/mol. IUPAC: (2S)-2-(dimethylamino)-3-(3-methyl-5-sulfanylimidazol-4-yl)propanoic acid.
Chemical Property Profile of 5-Mercapto-N,N,3-trimethyl-L-histidine
Property Insights of 5-Mercapto-N,N,3-trimethyl-L-histidine
The XLogP value of -1.8 indicates that 5-Mercapto-N,N,3-trimethyl-L-histidine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.4 Ų, 5-Mercapto-N,N,3-trimethyl-L-histidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Mercapto-N,N,3-trimethyl-L-histidine has 2 hydrogen bond donor(s) and 5 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 5-Mercapto-N,N,3-trimethyl-L-histidine?
The CAS number of 5-Mercapto-N,N,3-trimethyl-L-histidine is 105496-34-2.
What is the molecular formula of 5-Mercapto-N,N,3-trimethyl-L-histidine?
The molecular formula of 5-Mercapto-N,N,3-trimethyl-L-histidine is C9H15N3O2S.
What is the molecular weight of 5-Mercapto-N,N,3-trimethyl-L-histidine?
The molecular weight of 5-Mercapto-N,N,3-trimethyl-L-histidine is 229.09 g/mol.
Where can I buy 5-Mercapto-N,N,3-trimethyl-L-histidine?
You can request a quote for 5-Mercapto-N,N,3-trimethyl-L-histidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercapto-N,N,3-trimethyl-L-histidine?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-N,N,3-trimethyl-L-histidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.