S-adenosyl-3-thio-1,8-diaminooctane
TL;DR: S-adenosyl-3-thio-1,8-diaminooctane (CAS 76426-40-9) is a chemical compound with molecular formula C18H31N7O3S and molecular weight 425.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1,8-diaminooctan-3-ylsulfanylmethyl)oxolane-3,4-diol
Also Known As: Adodato, Satdao, S-Adenosyl-3-thio-1,8-diaminooctane, S-Adenosyl-1,8-diamino-3-thiooctane, 5'-s-(1,8-diaminooctan-3-yl)-5'-thioadenosine
| Molecular Formula | C18H31N7O3S |
|---|---|
| Molecular Weight | 425.22 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 425.22092 |
| Heavy Atoms | 29 |
| Complexity | 494.0 |
Chemical Identifiers
| CAS Number | 76426-40-9 |
|---|---|
| SMILES | C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSC(CCCCCN)CCN)O)O)N |
| InChIKey | YETXSQDQSWLLJR-JJPFLPBXSA-N |
Product Overview
S-adenosyl-3-thio-1,8-diaminooctane (CAS 76426-40-9), with molecular formula C18H31N7O3S and molecular weight 425.22 g/mol. IUPAC: (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1,8-diaminooctan-3-ylsulfanylmethyl)oxolane-3,4-diol.
Chemical Property Profile of S-adenosyl-3-thio-1,8-diaminooctane
Property Insights of S-adenosyl-3-thio-1,8-diaminooctane
The XLogP value of -0.3 indicates that S-adenosyl-3-thio-1,8-diaminooctane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting S-adenosyl-3-thio-1,8-diaminooctane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, S-adenosyl-3-thio-1,8-diaminooctane has 5 hydrogen bond donor(s) and 10 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 S-adenosyl-3-thio-1,8-diaminooctane?
The CAS number of S-adenosyl-3-thio-1,8-diaminooctane is 76426-40-9.
What is the molecular formula of S-adenosyl-3-thio-1,8-diaminooctane?
The molecular formula of S-adenosyl-3-thio-1,8-diaminooctane is C18H31N7O3S.
What is the molecular weight of S-adenosyl-3-thio-1,8-diaminooctane?
The molecular weight of S-adenosyl-3-thio-1,8-diaminooctane is 425.22 g/mol.
Where can I buy S-adenosyl-3-thio-1,8-diaminooctane?
You can request a quote for S-adenosyl-3-thio-1,8-diaminooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-adenosyl-3-thio-1,8-diaminooctane?
Yes, KEHONG BIO provides custom synthesis services for S-adenosyl-3-thio-1,8-diaminooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.