Acyclic-7-deazapurine
TL;DR: Acyclic-7-deazapurine (CAS 127945-87-3) is a chemical compound with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-7-(2-hydroxyethoxymethyl)-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-hydroxyethoxy)methyl)-6-(methylthio)-, 4-Amino-5-cyano-6-(methylthio)-7-((2-hydroxyethoxy)methyl)pyrrolo(2,3-d)-pyrimidine, 4-amino-7-(2-hydroxyethoxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carbonitrile
| Molecular Formula | C11H13N5O2S |
|---|---|
| Molecular Weight | 279.08 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 279.079 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 127945-87-3 |
|---|---|
| SMILES | CSC1=C(C2=C(N=CN=C2N1COCCO)N)C#N |
| InChIKey | KMBSGMPVHGGQQY-UHFFFAOYSA-N |
Product Overview
Acyclic-7-deazapurine (CAS 127945-87-3), with molecular formula C11H13N5O2S and molecular weight 279.08 g/mol. IUPAC: 4-amino-7-(2-hydroxyethoxymethyl)-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 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acyclic-7-deazapurine. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acyclic-7-deazapurine. Following Lipinski's Rule of Five, Acyclic-7-deazapurine has 2 hydrogen bond donor(s) and 7 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 127945-87-3.
What is the molecular formula of Acyclic-7-deazapurine?
The molecular formula of Acyclic-7-deazapurine is C11H13N5O2S.
What is the molecular weight of Acyclic-7-deazapurine?
The molecular weight of Acyclic-7-deazapurine is 279.08 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.