Cocarboxylase (INN:DCF:JAN)
TL;DR: Cocarboxylase (INN:DCF:JAN) (CAS 154-87-0) is a chemical compound with molecular formula C12H19ClN4O7P2S and molecular weight 460.01 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 phosphono hydrogen phosphate chloride
Also Known As: cocarboxylase, Thiamine pyrophosphate, Cocarboxilasa, Cocarboxylasum, Pyruvodehydrase
| Molecular Formula | C12H19ClN4O7P2S |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | -2.15 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.01382 |
| Heavy Atoms | 27 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 154-87-0 |
|---|---|
| SMILES | CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCOP(=O)(O)OP(=O)(O)O.[Cl-] |
| InChIKey | YXVCLPJQTZXJLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cocarboxylase (INN:DCF:JAN) (CAS 154-87-0), with molecular formula C12H19ClN4O7P2S and molecular weight 460.01 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 chloride.
Chemical Property Profile of Cocarboxylase (INN:DCF:JAN)
Property Insights of Cocarboxylase (INN:DCF:JAN)
The XLogP value of -2.15 indicates that Cocarboxylase (INN:DCF:JAN) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Cocarboxylase (INN:DCF:JAN) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cocarboxylase (INN:DCF:JAN) has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cocarboxylase (INN:DCF:JAN)?
The CAS number of Cocarboxylase (INN:DCF:JAN) is 154-87-0.
What is the molecular formula of Cocarboxylase (INN:DCF:JAN)?
The molecular formula of Cocarboxylase (INN:DCF:JAN) is C12H19ClN4O7P2S.
What is the molecular weight of Cocarboxylase (INN:DCF:JAN)?
The molecular weight of Cocarboxylase (INN:DCF:JAN) is 460.01 g/mol.
Where can I buy Cocarboxylase (INN:DCF:JAN)?
You can request a quote for Cocarboxylase (INN:DCF:JAN) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cocarboxylase (INN:DCF:JAN)?
Yes, KEHONG BIO provides custom synthesis services for Cocarboxylase (INN:DCF:JAN) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.