Thiamine indole-3-propionate
TL;DR: Thiamine indole-3-propionate (CAS 892-29-5) is a chemical compound with molecular formula C23H26ClN5O2S and molecular weight 471.15 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]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate chloride
Also Known As: Thiamine indole-3-propionate, thiamineindole-3-propionate, 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate;chloride, 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[3-(1h-indol-3-yl)propanoyl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium chloride, Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-(3-(1H-indol-3-yl)-1-oxopropoxy)ethyl)-4-methyl-, perchlorate, monoperchlorate, compd. with methanol (1:1)
| Molecular Formula | C23H26ClN5O2S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 0.27674 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 471.14957 |
| Heavy Atoms | 32 |
| Complexity | 596.0 |
Chemical Identifiers
| CAS Number | 892-29-5 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOC(=O)CCC3=CNC4=CC=CC=C43.[Cl-] |
| InChIKey | KRXFUVUEJRVANS-UHFFFAOYSA-M |
Product Overview
Thiamine indole-3-propionate (CAS 892-29-5), with molecular formula C23H26ClN5O2S and molecular weight 471.15 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl 3-(1H-indol-3-yl)propanoate chloride.
Chemical Property Profile of Thiamine indole-3-propionate
Property Insights of Thiamine indole-3-propionate
The XLogP value of 0.27674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Thiamine indole-3-propionate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiamine indole-3-propionate. Following Lipinski's Rule of Five, Thiamine indole-3-propionate has 2 hydrogen bond donor(s) and 7 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 Thiamine indole-3-propionate?
The CAS number of Thiamine indole-3-propionate is 892-29-5.
What is the molecular formula of Thiamine indole-3-propionate?
The molecular formula of Thiamine indole-3-propionate is C23H26ClN5O2S.
What is the molecular weight of Thiamine indole-3-propionate?
The molecular weight of Thiamine indole-3-propionate is 471.15 g/mol.
Where can I buy Thiamine indole-3-propionate?
You can request a quote for Thiamine indole-3-propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiamine indole-3-propionate?
Yes, KEHONG BIO provides custom synthesis services for Thiamine indole-3-propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.