(S)-甲霜灵酸
TL;DR: (S)-甲霜灵酸 (CAS 87764-37-2) is a chemical compound with molecular formula C14H19NO4 and molecular weight 265.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-甲霜灵酸
(2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
Also Known As: (S)-Metalaxyl acid, 4-Deoxy-4-fluoromannose, Alanine, N-(2,6-dimethylphenyl)-N-(methoxyacetyl)-, J1.558.730J, (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid
| Molecular Formula | C14H19NO4 |
|---|---|
| Molecular Weight | 265.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 265.1314 |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 87764-37-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N([C@@H](C)C(=O)O)C(=O)COC |
| InChIKey | ZRIKZVLHMGYCIR-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(S)-甲霜灵酸 (CAS 87764-37-2), with molecular formula C14H19NO4 and molecular weight 265.13 g/mol. IUPAC: (2S)-2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoic acid.
Chemical Property Profile of (S)-甲霜灵酸
Property Insights of (S)-甲霜灵酸
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-甲霜灵酸. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-甲霜灵酸. Following Lipinski's Rule of Five, (S)-甲霜灵酸 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 (S)-甲霜灵酸?
The CAS number of (S)-甲霜灵酸 is 87764-37-2.
What is the molecular formula of (S)-甲霜灵酸?
The molecular formula of (S)-甲霜灵酸 is C14H19NO4.
What is the molecular weight of (S)-甲霜灵酸?
The molecular weight of (S)-甲霜灵酸 is 265.13 g/mol.
Where can I buy (S)-甲霜灵酸?
You can request a quote for (S)-甲霜灵酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-甲霜灵酸?
Yes, KEHONG BIO provides custom synthesis services for (S)-甲霜灵酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.