7-NH2CO-8-MeS-7-deaza-acycloA
TL;DR: 7-NH2CO-8-MeS-7-deaza-acycloA (CAS 127945-92-0) is a chemical compound with molecular formula C12H17N5O4S and molecular weight 327.10 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-carboxamide
Also Known As: 7-NH2CO-8-MeS-7-deaza-acycloA, 4-amino-2-methyl-pyrimidine-5-carbonitrile, 7H-Pyrrolo(2,3-d)pyrimidine-5-carboxamide, 4-amino-7-((2-hydroxy-1-(hydroxymethyl)ethoxy)methyl)-6-(methylthio)-, 4-Amino-5-(aminocarbonyl)-6-(methylthio)-7-((1,3-dihydroxy-2-propoxy)methyl)-pyrrolo(2,3-d)pyrimidine, 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide
| Molecular Formula | C12H17N5O4S |
|---|---|
| Molecular Weight | 327.10 g/mol |
| LogP | -1.4 |
| Topological Polar Surface Area | 175.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.10013 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 127945-92-0 |
|---|---|
| SMILES | CSC1=C(C2=C(N=CN=C2N1COC(CO)CO)N)C(=O)N |
| InChIKey | JMVZSBHVPKVTLV-UHFFFAOYSA-N |
Product Overview
7-NH2CO-8-MeS-7-deaza-acycloA (CAS 127945-92-0), with molecular formula C12H17N5O4S and molecular weight 327.10 g/mol. IUPAC: 4-amino-7-(1,3-dihydroxypropan-2-yloxymethyl)-6-methylsulfanylpyrrolo[2,3-d]pyrimidine-5-carboxamide.
Chemical Property Profile of 7-NH2CO-8-MeS-7-deaza-acycloA
Property Insights of 7-NH2CO-8-MeS-7-deaza-acycloA
The XLogP value of -1.4 indicates that 7-NH2CO-8-MeS-7-deaza-acycloA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 175.0 Ų indicates high polarity, suggesting 7-NH2CO-8-MeS-7-deaza-acycloA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-NH2CO-8-MeS-7-deaza-acycloA has 4 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 7-NH2CO-8-MeS-7-deaza-acycloA?
The CAS number of 7-NH2CO-8-MeS-7-deaza-acycloA is 127945-92-0.
What is the molecular formula of 7-NH2CO-8-MeS-7-deaza-acycloA?
The molecular formula of 7-NH2CO-8-MeS-7-deaza-acycloA is C12H17N5O4S.
What is the molecular weight of 7-NH2CO-8-MeS-7-deaza-acycloA?
The molecular weight of 7-NH2CO-8-MeS-7-deaza-acycloA is 327.10 g/mol.
Where can I buy 7-NH2CO-8-MeS-7-deaza-acycloA?
You can request a quote for 7-NH2CO-8-MeS-7-deaza-acycloA 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-acycloA?
Yes, KEHONG BIO provides custom synthesis services for 7-NH2CO-8-MeS-7-deaza-acycloA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.