Thiochrome diphosphate
TL;DR: Thiochrome diphosphate (CAS 13283-91-5) is a chemical compound with molecular formula C12H16N4O7P2S and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate
Also Known As: Thiochrome diphosphate, cyclohexenyl triflate, 2-(2,7-dimethyl-5h-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8-yl)ethyl trihydrogen diphosphate, 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate, 2-(2,7-Dimethyl-5H-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-8 -yl)ethyl trihydrogen diphosphate
| Molecular Formula | C12H16N4O7P2S |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 422.02148 |
| Heavy Atoms | 26 |
| Complexity | 726.0 |
Chemical Identifiers
| CAS Number | 13283-91-5 |
|---|---|
| SMILES | CC1=C(SC2=NC3=NC(=NC=C3CN12)C)CCOP(=O)(O)OP(=O)(O)O |
| InChIKey | DEEKUGGTHPYDAX-UHFFFAOYSA-N |
Product Overview
Thiochrome diphosphate (CAS 13283-91-5), with molecular formula C12H16N4O7P2S and molecular weight 422.02 g/mol. IUPAC: 2-(6,12-dimethyl-4-thia-2,7,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(13),2,5,9,11-pentaen-5-yl)ethyl phosphono hydrogen phosphate.
Chemical Property Profile of Thiochrome diphosphate
Property Insights of Thiochrome diphosphate
The XLogP value of -1.6 indicates that Thiochrome diphosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting Thiochrome diphosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Thiochrome diphosphate has 3 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 Thiochrome diphosphate?
The CAS number of Thiochrome diphosphate is 13283-91-5.
What is the molecular formula of Thiochrome diphosphate?
The molecular formula of Thiochrome diphosphate is C12H16N4O7P2S.
What is the molecular weight of Thiochrome diphosphate?
The molecular weight of Thiochrome diphosphate is 422.02 g/mol.
Where can I buy Thiochrome diphosphate?
You can request a quote for Thiochrome diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiochrome diphosphate?
Yes, KEHONG BIO provides custom synthesis services for Thiochrome diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.