alpha-Lactylthiamine
TL;DR: alpha-Lactylthiamine (CAS 86870-52-2) is a chemical compound with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-2-hydroxypropanoate
Also Known As: alpha-Lactylthiamine, A-Lactylthiamine, Npt 16416, 7,8-Dihydrothiazole(3,2e)hypoxanthine, 7,8-Dihydrothiazolo(3,2-e)purin-4(1H)-one
| Molecular Formula | C15H20N4O4S |
|---|---|
| Molecular Weight | 352.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.1205 |
| Heavy Atoms | 24 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 86870-52-2 |
|---|---|
| SMILES | CC1=C(SC(=[N+]1CC2=CN=C(N=C2N)C)C(C)(C(=O)[O-])O)CCO |
| InChIKey | DDZPSVZOYAVAJF-UHFFFAOYSA-N |
Product Overview
alpha-Lactylthiamine (CAS 86870-52-2), with molecular formula C15H20N4O4S and molecular weight 352.12 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-2-yl]-2-hydroxypropanoate.
Chemical Property Profile of alpha-Lactylthiamine
Property Insights of alpha-Lactylthiamine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Lactylthiamine. The TPSA of 165.0 Ų indicates high polarity, suggesting alpha-Lactylthiamine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Lactylthiamine has 3 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 alpha-Lactylthiamine?
The CAS number of alpha-Lactylthiamine is 86870-52-2.
What is the molecular formula of alpha-Lactylthiamine?
The molecular formula of alpha-Lactylthiamine is C15H20N4O4S.
What is the molecular weight of alpha-Lactylthiamine?
The molecular weight of alpha-Lactylthiamine is 352.12 g/mol.
Where can I buy alpha-Lactylthiamine?
You can request a quote for alpha-Lactylthiamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Lactylthiamine?
Yes, KEHONG BIO provides custom synthesis services for alpha-Lactylthiamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.