Pemulen TR 2
TL;DR: Pemulen TR 2 (CAS 16372-04-6) is a chemical compound with molecular formula C27H34N9O15P2+ and molecular weight 786.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate
Also Known As: Pemulen TR 2, Flavin-adenine dinucleotide, Arabinoflavin Adenine Dinucleotide, 2-(2,4-Difluoro-phenylamino)-nicotinic acid, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE
| Molecular Formula | C27H34N9O15P2+ |
|---|---|
| Molecular Weight | 786.16 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 357.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 13 |
| Exact Mass | 786.165 |
| Heavy Atoms | 53 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 16372-04-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)[N+](=C3C(=N2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O |
| InChIKey | IMGVNJNCCGXBHD-UYBVJOGSSA-O |
Product Overview
Pemulen TR 2 (CAS 16372-04-6), with molecular formula C27H34N9O15P2+ and molecular weight 786.16 g/mol. IUPAC: [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxo-1H-benzo[g]pteridin-10-ium-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate.
Chemical Property Profile of Pemulen TR 2
Property Insights of Pemulen TR 2
The XLogP value of -5.0 indicates that Pemulen TR 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 357.0 Ų indicates high polarity, suggesting Pemulen TR 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pemulen TR 2 has 10 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pemulen TR 2?
The CAS number of Pemulen TR 2 is 16372-04-6.
What is the molecular formula of Pemulen TR 2?
The molecular formula of Pemulen TR 2 is C27H34N9O15P2+.
What is the molecular weight of Pemulen TR 2?
The molecular weight of Pemulen TR 2 is 786.16 g/mol.
Where can I buy Pemulen TR 2?
You can request a quote for Pemulen TR 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pemulen TR 2?
Yes, KEHONG BIO provides custom synthesis services for Pemulen TR 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.