![[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate structure](/static/products/833/83379-25-3.png)
[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
TL;DR: [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate (CAS 83379-25-3) is a chemical compound with molecular formula C19H18BrN5O6S and molecular weight 523.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
Also Known As: [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate|4-Amino-6-bromo-7-[2-O-(4-methylbenzene-1-sulfonyl)pentofuranosyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
| Molecular Formula | C19H18BrN5O6S |
|---|---|
| Molecular Weight | 523.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 523.0161 |
| Heavy Atoms | 32 |
| Complexity | 828.0 |
Chemical Identifiers
| CAS Number | 83379-25-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC2N3C(=C(C4=C(N=CN=C43)N)C#N)Br)CO)O |
| InChIKey | KYCXTVIMIRUAIN-UHFFFAOYSA-N |
Product Overview
[2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate (CAS 83379-25-3), with molecular formula C19H18BrN5O6S and molecular weight 523.02 g/mol. IUPAC: [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate.
Chemical Property Profile of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
Property Insights of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate. The TPSA of 182.0 Ų indicates high polarity, suggesting [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate?
The CAS number of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate is 83379-25-3.
What is the molecular formula of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate?
The molecular formula of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate is C19H18BrN5O6S.
What is the molecular weight of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate?
The molecular weight of [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate is 523.02 g/mol.
Where can I buy [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate?
You can request a quote for [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for [2-(4-amino-6-bromo-5-cyanopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.