5-S-半胱氨酰-3,4-二羟基苯乙酸
TL;DR: 5-S-半胱氨酰-3,4-二羟基苯乙酸 (CAS 102986-13-0) is a chemical compound with molecular formula C11H13NO6S and molecular weight 287.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-S-半胱氨酰-3,4-二羟基苯乙酸
(2R)-2-amino-3-[5-(carboxymethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid
Also Known As: 5-S-Cysteinyl-dopac, 5-S-cysteinyldopac, 5-S-Cysteinyl DOPAC, 5-S-Cysteinyl-3,4-dihydroxyphenylacetic acid, 5-S-Cysteinyl DOPA acetic acid
| Molecular Formula | C11H13NO6S |
|---|---|
| Molecular Weight | 287.05 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.04636 |
| Heavy Atoms | 19 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 102986-13-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1O)O)SC[C@@H](C(=O)O)N)CC(=O)O |
| InChIKey | VXENIQYLJYCIHB-LURJTMIESA-N |
Product Overview
5-S-半胱氨酰-3,4-二羟基苯乙酸 (CAS 102986-13-0), with molecular formula C11H13NO6S and molecular weight 287.05 g/mol. IUPAC: (2R)-2-amino-3-[5-(carboxymethyl)-2,3-dihydroxyphenyl]sulfanylpropanoic acid.
Chemical Property Profile of 5-S-半胱氨酰-3,4-二羟基苯乙酸
Property Insights of 5-S-半胱氨酰-3,4-二羟基苯乙酸
The XLogP value of -2.4 indicates that 5-S-半胱氨酰-3,4-二羟基苯乙酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting 5-S-半胱氨酰-3,4-二羟基苯乙酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-S-半胱氨酰-3,4-二羟基苯乙酸 has 5 hydrogen bond donor(s) and 8 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-S-半胱氨酰-3,4-二羟基苯乙酸?
The CAS number of 5-S-半胱氨酰-3,4-二羟基苯乙酸 is 102986-13-0.
What is the molecular formula of 5-S-半胱氨酰-3,4-二羟基苯乙酸?
The molecular formula of 5-S-半胱氨酰-3,4-二羟基苯乙酸 is C11H13NO6S.
What is the molecular weight of 5-S-半胱氨酰-3,4-二羟基苯乙酸?
The molecular weight of 5-S-半胱氨酰-3,4-二羟基苯乙酸 is 287.05 g/mol.
Where can I buy 5-S-半胱氨酰-3,4-二羟基苯乙酸?
You can request a quote for 5-S-半胱氨酰-3,4-二羟基苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-S-半胱氨酰-3,4-二羟基苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 5-S-半胱氨酰-3,4-二羟基苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.