硫胺素焦磷酸
TL;DR: 硫胺素焦磷酸 (CAS 136-08-3) is a chemical compound with molecular formula C12H19N4O7P2S+ and molecular weight 425.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫胺素焦磷酸
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate
Also Known As: cocarboxylase, thiamine diphosphate, Thiamine pyrophosphate, thiamin diphosphate, Coenzymate
| Molecular Formula | C12H19N4O7P2S+ |
|---|---|
| Molecular Weight | 425.04 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 425.04498 |
| Heavy Atoms | 26 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 136-08-3 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O |
| InChIKey | AYEKOFBPNLCAJY-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
硫胺素焦磷酸 (CAS 136-08-3), with molecular formula C12H19N4O7P2S+ and molecular weight 425.04 g/mol. IUPAC: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl phosphono hydrogen phosphate.
Chemical Property Profile of 硫胺素焦磷酸
Property Insights of 硫胺素焦磷酸
The XLogP value of -1.2 indicates that 硫胺素焦磷酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting 硫胺素焦磷酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫胺素焦磷酸 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫胺素焦磷酸?
The CAS number of 硫胺素焦磷酸 is 136-08-3.
What is the molecular formula of 硫胺素焦磷酸?
The molecular formula of 硫胺素焦磷酸 is C12H19N4O7P2S+.
What is the molecular weight of 硫胺素焦磷酸?
The molecular weight of 硫胺素焦磷酸 is 425.04 g/mol.
Where can I buy 硫胺素焦磷酸?
You can request a quote for 硫胺素焦磷酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫胺素焦磷酸?
Yes, KEHONG BIO provides custom synthesis services for 硫胺素焦磷酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.