1-N-甲基-4-巯基组氨酸二硫化物
TL;DR: 1-N-甲基-4-巯基组氨酸二硫化物 (CAS 122174-39-4) is a chemical compound with molecular formula C14H20N6O4S2 and molecular weight 400.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N-甲基-4-巯基组氨酸二硫化物
(2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid
Also Known As: MMHDS, L-ovothiol A disulfide, 1-N-Methyl-4-mercaptohistidine disulfide, 1-N-methyl-4-mercaptohistidinedisulfide, (2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid
| Molecular Formula | C14H20N6O4S2 |
|---|---|
| Molecular Weight | 400.10 g/mol |
| LogP | -5.7 |
| Topological Polar Surface Area | 213.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.09875 |
| Heavy Atoms | 26 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 122174-39-4 |
|---|---|
| SMILES | CN1C=NC(=C1C[C@@H](C(=O)O)N)SSC2=C(N(C=N2)C)C[C@@H](C(=O)O)N |
| InChIKey | NRGVZXSKWPQYMK-YUMQZZPRSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-N-甲基-4-巯基组氨酸二硫化物 (CAS 122174-39-4), with molecular formula C14H20N6O4S2 and molecular weight 400.10 g/mol. IUPAC: (2S)-2-amino-3-[5-[[5-[(2S)-2-amino-2-carboxyethyl]-1-methylimidazol-4-yl]disulfanyl]-3-methylimidazol-4-yl]propanoic acid.
Chemical Property Profile of 1-N-甲基-4-巯基组氨酸二硫化物
Property Insights of 1-N-甲基-4-巯基组氨酸二硫化物
The XLogP value of -5.7 indicates that 1-N-甲基-4-巯基组氨酸二硫化物 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting 1-N-甲基-4-巯基组氨酸二硫化物 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-N-甲基-4-巯基组氨酸二硫化物 has 4 hydrogen bond donor(s) and 10 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 1-N-甲基-4-巯基组氨酸二硫化物?
The CAS number of 1-N-甲基-4-巯基组氨酸二硫化物 is 122174-39-4.
What is the molecular formula of 1-N-甲基-4-巯基组氨酸二硫化物?
The molecular formula of 1-N-甲基-4-巯基组氨酸二硫化物 is C14H20N6O4S2.
What is the molecular weight of 1-N-甲基-4-巯基组氨酸二硫化物?
The molecular weight of 1-N-甲基-4-巯基组氨酸二硫化物 is 400.10 g/mol.
Where can I buy 1-N-甲基-4-巯基组氨酸二硫化物?
You can request a quote for 1-N-甲基-4-巯基组氨酸二硫化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-N-甲基-4-巯基组氨酸二硫化物?
Yes, KEHONG BIO provides custom synthesis services for 1-N-甲基-4-巯基组氨酸二硫化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.