5'-Phosphopyridoxyl-7-azatryptophan
TL;DR: 5'-Phosphopyridoxyl-7-azatryptophan (CAS 157117-38-9) is a chemical compound with molecular formula C18H21N4O7P and molecular weight 436.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid
Also Known As: 5-Ppat, 5'-Phosphopyridoxyl-7-azatryptophan, 5/'-phosphopyridoxyl-7-azatryptophan, 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid, N-({3-Hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)alanine
| Molecular Formula | C18H21N4O7P |
|---|---|
| Molecular Weight | 436.11 g/mol |
| LogP | 1.36672 |
| Topological Polar Surface Area | 177.89 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.11478 |
| Heavy Atoms | 30 |
| Complexity | 1111.108 |
Chemical Identifiers
| CAS Number | 157117-38-9 |
|---|---|
| SMILES | CC1=NC=C(C(=C1O)CNC(CC2=CNC3=C2C=CC=N3)C(=O)O)COP(=O)(O)O |
Product Overview
5'-Phosphopyridoxyl-7-azatryptophan (CAS 157117-38-9), with molecular formula C18H21N4O7P and molecular weight 436.11 g/mol. IUPAC: 2-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]methylamino]-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanoic acid.
Chemical Property Profile of 5'-Phosphopyridoxyl-7-azatryptophan
Property Insights of 5'-Phosphopyridoxyl-7-azatryptophan
The XLogP value of 1.36672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5'-Phosphopyridoxyl-7-azatryptophan. The TPSA of 177.89 Ų indicates high polarity, suggesting 5'-Phosphopyridoxyl-7-azatryptophan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5'-Phosphopyridoxyl-7-azatryptophan has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5'-Phosphopyridoxyl-7-azatryptophan?
The CAS number of 5'-Phosphopyridoxyl-7-azatryptophan is 157117-38-9.
What is the molecular formula of 5'-Phosphopyridoxyl-7-azatryptophan?
The molecular formula of 5'-Phosphopyridoxyl-7-azatryptophan is C18H21N4O7P.
What is the molecular weight of 5'-Phosphopyridoxyl-7-azatryptophan?
The molecular weight of 5'-Phosphopyridoxyl-7-azatryptophan is 436.11 g/mol.
Where can I buy 5'-Phosphopyridoxyl-7-azatryptophan?
You can request a quote for 5'-Phosphopyridoxyl-7-azatryptophan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5'-Phosphopyridoxyl-7-azatryptophan?
Yes, KEHONG BIO provides custom synthesis services for 5'-Phosphopyridoxyl-7-azatryptophan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.