2-Carbamoylphenyl thiamine monophosphate
TL;DR: 2-Carbamoylphenyl thiamine monophosphate (CAS 84062-60-2) is a chemical compound with molecular formula C19H23BrN5O5PS and molecular weight 543.03 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 (2-carbamoylphenyl) hydrogen phosphate bromide
Also Known As: TMP-OCP, 2-Carbamoylphenyl thiamine monophosphate, 2-carbamoylphenylthiaminemonophosphate, ortho-carbamoylphenyl thiamine monophosphate, thiamine monophosphate o-carbamoylphenyl ester
| Molecular Formula | C19H23BrN5O5PS |
|---|---|
| Molecular Weight | 543.03 g/mol |
| LogP | -1.08566 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.0341 |
| Heavy Atoms | 32 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 84062-60-2 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OC3=CC=CC=C3C(=O)N.[Br-] |
| InChIKey | OIFBQWGRIPEFAT-UHFFFAOYSA-N |
Product Overview
2-Carbamoylphenyl thiamine monophosphate (CAS 84062-60-2), with molecular formula C19H23BrN5O5PS and molecular weight 543.03 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl (2-carbamoylphenyl) hydrogen phosphate bromide.
Chemical Property Profile of 2-Carbamoylphenyl thiamine monophosphate
Property Insights of 2-Carbamoylphenyl thiamine monophosphate
The XLogP value of -1.08566 indicates that 2-Carbamoylphenyl thiamine monophosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 183.0 Ų indicates high polarity, suggesting 2-Carbamoylphenyl thiamine monophosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-Carbamoylphenyl thiamine monophosphate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Carbamoylphenyl thiamine monophosphate?
The CAS number of 2-Carbamoylphenyl thiamine monophosphate is 84062-60-2.
What is the molecular formula of 2-Carbamoylphenyl thiamine monophosphate?
The molecular formula of 2-Carbamoylphenyl thiamine monophosphate is C19H23BrN5O5PS.
What is the molecular weight of 2-Carbamoylphenyl thiamine monophosphate?
The molecular weight of 2-Carbamoylphenyl thiamine monophosphate is 543.03 g/mol.
Where can I buy 2-Carbamoylphenyl thiamine monophosphate?
You can request a quote for 2-Carbamoylphenyl thiamine monophosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Carbamoylphenyl thiamine monophosphate?
Yes, KEHONG BIO provides custom synthesis services for 2-Carbamoylphenyl thiamine monophosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.