![13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one structure](/static/products/7475/74754-49-7.webp)
13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
TL;DR: 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one (CAS 74754-49-7) is a chemical compound with molecular formula C14H16N6O5S and molecular weight 380.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
Also Known As: 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one, 5-Amino-4-(methylsulfanyl)-9-pentofuranosyl-1,9-dihydro-2H-pyrrolo[2,3-d:5,4-d']dipyrimidin-2-one
| Molecular Formula | C14H16N6O5S |
|---|---|
| Molecular Weight | 380.09 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.0903 |
| Heavy Atoms | 26 |
| Complexity | 610.0 |
Chemical Identifiers
| CAS Number | 74754-49-7 |
|---|---|
| SMILES | CSC1=NC(=O)NC2=C1C3=C(N=CN=C3N2C4C(C(C(O4)CO)O)O)N |
| InChIKey | PSXRCOBDFZNYMG-UHFFFAOYSA-N |
Product Overview
13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one (CAS 74754-49-7), with molecular formula C14H16N6O5S and molecular weight 380.09 g/mol. IUPAC: 13-amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one.
Chemical Property Profile of 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
Property Insights of 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one
The XLogP value of -1.3 indicates that 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 193.0 Ų indicates high polarity, suggesting 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one has 5 hydrogen bond donor(s) and 9 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 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one?
The CAS number of 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one is 74754-49-7.
What is the molecular formula of 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one?
The molecular formula of 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one is C14H16N6O5S.
What is the molecular weight of 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one?
The molecular weight of 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one is 380.09 g/mol.
Where can I buy 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one?
You can request a quote for 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one?
Yes, KEHONG BIO provides custom synthesis services for 13-Amino-8-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methylsulfanyl-4,6,8,10,12-pentazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.