7,8-Dihydro-8-thioxoadenosine
TL;DR: 7,8-Dihydro-8-thioxoadenosine (CAS 3001-45-4) is a chemical compound with molecular formula C10H13N5O4S and molecular weight 299.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
Also Known As: 7,8-Dihydro-8-thioxoadenosine, BIM-0033282.P001, 6-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
| Molecular Formula | C10H13N5O4S |
|---|---|
| Molecular Weight | 299.07 g/mol |
| LogP | -1.31741 |
| Topological Polar Surface Area | 142.44 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.06882 |
| Heavy Atoms | 20 |
| Complexity | 700.50305 |
Chemical Identifiers
| CAS Number | 3001-45-4 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C(=S)N2)[C@H]3C([C@H]([C@H](O3)CO)O)O)N |
Product Overview
7,8-Dihydro-8-thioxoadenosine (CAS 3001-45-4), with molecular formula C10H13N5O4S and molecular weight 299.07 g/mol. IUPAC: 6-amino-9-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione.
Chemical Property Profile of 7,8-Dihydro-8-thioxoadenosine
Property Insights of 7,8-Dihydro-8-thioxoadenosine
The XLogP value of -1.31741 indicates that 7,8-Dihydro-8-thioxoadenosine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 142.44 Ų indicates high polarity, suggesting 7,8-Dihydro-8-thioxoadenosine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7,8-Dihydro-8-thioxoadenosine has 5 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 7,8-Dihydro-8-thioxoadenosine?
The CAS number of 7,8-Dihydro-8-thioxoadenosine is 3001-45-4.
What is the molecular formula of 7,8-Dihydro-8-thioxoadenosine?
The molecular formula of 7,8-Dihydro-8-thioxoadenosine is C10H13N5O4S.
What is the molecular weight of 7,8-Dihydro-8-thioxoadenosine?
The molecular weight of 7,8-Dihydro-8-thioxoadenosine is 299.07 g/mol.
Where can I buy 7,8-Dihydro-8-thioxoadenosine?
You can request a quote for 7,8-Dihydro-8-thioxoadenosine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydro-8-thioxoadenosine?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydro-8-thioxoadenosine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.