Acyclic-7-deazapurine
TL;DR: Acyclic-7-deazapurine (CAS 127945-86-2) is a chemical compound with molecular formula C12H15N5O3S and molecular weight 309.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
Also Known As: Acyclic-7-deazapurine, 7-CN-8-MeS-7-deaza-acycloA, 7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-, 4-Amino-5-cyano-6-(methylthio)-7-((1,3-dihydroxy-2-propoxy)methyl)pyrrolo-(2,3-d)pyrimidine, 4-Amino-7-(((1,3-dihydroxypropan-2-yl)oxy)methyl)-6-(methylthio)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
| Molecular Formula | C12H15N5O3S |
|---|---|
| Molecular Weight | 309.09 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 309.08957 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 127945-86-2 |
|---|---|
| SMILES | CSC1=C(C2=C(N=CN=C2N1COC(CO)CO)N)C#N |
| InChIKey | UVWCAXPTMMSDLT-UHFFFAOYSA-N |
Product Overview
Acyclic-7-deazapurine (CAS 127945-86-2), with molecular formula C12H15N5O3S and molecular weight 309.09 g/mol. IUPAC: 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile.
Chemical Property Profile of Acyclic-7-deazapurine
Property Insights of Acyclic-7-deazapurine
The XLogP value of -0.6 indicates that Acyclic-7-deazapurine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Acyclic-7-deazapurine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acyclic-7-deazapurine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acyclic-7-deazapurine?
The CAS number of Acyclic-7-deazapurine is 127945-86-2.
What is the molecular formula of Acyclic-7-deazapurine?
The molecular formula of Acyclic-7-deazapurine is C12H15N5O3S.
What is the molecular weight of Acyclic-7-deazapurine?
The molecular weight of Acyclic-7-deazapurine is 309.09 g/mol.
Where can I buy Acyclic-7-deazapurine?
You can request a quote for Acyclic-7-deazapurine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acyclic-7-deazapurine?
Yes, KEHONG BIO provides custom synthesis services for Acyclic-7-deazapurine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.