7-NH2CO-8-MeS-7-deaza-acyclo-dA
TL;DR: 7-NH2CO-8-MeS-7-deaza-acyclo-dA (CAS 127945-93-1) is a chemical compound with molecular formula C11H15N5O3S and molecular weight 297.09 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-carboxamide
Also Known As: 7-NH2CO-8-MeS-7-deaza-acyclo-dA, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-((2-hydroxyethoxy)methyl)-6-(methylthio)-, 4-Amino-5-(aminocarbonyl)-6-(methylthio)-7-((2-hydroxyethoxy)methyl)pyrrolo-(2,3-d)pyrimidine, 4-amino-7-[(2-hydroxyethoxy)methyl]-6-(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-Amino-6-methylthio-7-(2-hydroxyethoxymethyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
| Molecular Formula | C11H15N5O3S |
|---|---|
| Molecular Weight | 297.09 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.08957 |
| Heavy Atoms | 20 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 127945-93-1 |
|---|---|
| SMILES | CSC1=C(C2=C(N=CN=C2N1COCCO)N)C(=O)N |
| InChIKey | FXZWKAIVWWQEHN-UHFFFAOYSA-N |
Product Overview
7-NH2CO-8-MeS-7-deaza-acyclo-dA (CAS 127945-93-1), with molecular formula C11H15N5O3S and molecular weight 297.09 g/mol. IUPAC: 4-amino-7-(2-hydroxyethoxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
Chemical Property Profile of 7-NH2CO-8-MeS-7-deaza-acyclo-dA
Property Insights of 7-NH2CO-8-MeS-7-deaza-acyclo-dA
The XLogP value of -0.8 indicates that 7-NH2CO-8-MeS-7-deaza-acyclo-dA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 155.0 Ų indicates high polarity, suggesting 7-NH2CO-8-MeS-7-deaza-acyclo-dA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-NH2CO-8-MeS-7-deaza-acyclo-dA has 3 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 7-NH2CO-8-MeS-7-deaza-acyclo-dA?
The CAS number of 7-NH2CO-8-MeS-7-deaza-acyclo-dA is 127945-93-1.
What is the molecular formula of 7-NH2CO-8-MeS-7-deaza-acyclo-dA?
The molecular formula of 7-NH2CO-8-MeS-7-deaza-acyclo-dA is C11H15N5O3S.
What is the molecular weight of 7-NH2CO-8-MeS-7-deaza-acyclo-dA?
The molecular weight of 7-NH2CO-8-MeS-7-deaza-acyclo-dA is 297.09 g/mol.
Where can I buy 7-NH2CO-8-MeS-7-deaza-acyclo-dA?
You can request a quote for 7-NH2CO-8-MeS-7-deaza-acyclo-dA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-NH2CO-8-MeS-7-deaza-acyclo-dA?
Yes, KEHONG BIO provides custom synthesis services for 7-NH2CO-8-MeS-7-deaza-acyclo-dA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.