2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide
TL;DR: 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide (CAS 596103-02-5) is a chemical compound with molecular formula C12H15ClN6O3S and molecular weight 358.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4R,5R)-5-[2-chloro-6-(methylamino)purin-9-yl]-3,4-dihydroxy-N-methylthiolane-2-carboxamide
Also Known As: 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide, (2S,3S,4R,5R)-5-(2-chloro-6-(methylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide, (2S,3S,4R,5R)-5-(2-chloro-6-methylamino-purin-9-yl)-3,4-dihydroxy-N-methyl-thiolane-2-carboxamide, (2S,3S,4R,5R)-5-(2-chloro-6-methylaminopurin-9-yl}3,4-dihydroxytetrahydrothiophene-2-carboxylic acid methyl amide, 1-[2-Chloro-6-(methylamino)-9H-purin-9-yl]-1-deoxy-N-methyl-4-thio-
| Molecular Formula | C12H15ClN6O3S |
|---|---|
| Molecular Weight | 358.06 g/mol |
| LogP | -0.3968 |
| Topological Polar Surface Area | 125.19 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0615 |
| Heavy Atoms | 23 |
| Complexity | 755.71643 |
Chemical Identifiers
| CAS Number | 596103-02-5 |
|---|---|
| SMILES | CNC1=C2C(=NC(=N1)Cl)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](S3)C(=O)NC)O)O |
Product Overview
2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide (CAS 596103-02-5), with molecular formula C12H15ClN6O3S and molecular weight 358.06 g/mol. IUPAC: (2S,3S,4R,5R)-5-[2-chloro-6-(methylamino)purin-9-yl]-3,4-dihydroxy-N-methylthiolane-2-carboxamide.
Chemical Property Profile of 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide
Property Insights of 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide
The XLogP value of -0.3968 indicates that 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide. Following Lipinski's Rule of Five, 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide 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 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide?
The CAS number of 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide is 596103-02-5.
What is the molecular formula of 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide?
The molecular formula of 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide is C12H15ClN6O3S.
What is the molecular weight of 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide?
The molecular weight of 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide is 358.06 g/mol.
Where can I buy 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide?
You can request a quote for 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N6-methyl-4''-thioadenosine-5''-methyluronamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.