(8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate
TL;DR: (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate (CAS 13908-57-1) is a chemical compound with molecular formula C20H25NO6S2 and molecular weight 439.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-(methyldisulfanyl)naphthalen-1-yl]methyl (2S,4R,5R,6R)-6-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
Also Known As: Mnmaao, KST-1A1264, (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate, [8-(methyldisulfanyl)naphthalen-1-yl]methyl 8-amino-2,6-anhydro-3,8-dideoxy-d-glycero-d-talo-octonate, [8-(methyldisulfanyl)naphthalen-1-yl]methyl (2S,4R,5R,6R)-6-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate
| Molecular Formula | C20H25NO6S2 |
|---|---|
| Molecular Weight | 439.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 439.11234 |
| Heavy Atoms | 29 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 13908-57-1 |
|---|---|
| SMILES | CSSC1=CC=CC2=C1C(=CC=C2)COC(=O)[C@@H]3C[C@H]([C@H]([C@H](O3)[C@@H](CN)O)O)O |
| InChIKey | SAIJXSOJTCLAFJ-QGRWZNMESA-N |
Product Overview
(8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate (CAS 13908-57-1), with molecular formula C20H25NO6S2 and molecular weight 439.11 g/mol. IUPAC: [8-(methyldisulfanyl)naphthalen-1-yl]methyl (2S,4R,5R,6R)-6-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydroxyoxane-2-carboxylate.
Chemical Property Profile of (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate
Property Insights of (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate. The TPSA of 173.0 Ų indicates high polarity, suggesting (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate has 4 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 (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate?
The CAS number of (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate is 13908-57-1.
What is the molecular formula of (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate?
The molecular formula of (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate is C20H25NO6S2.
What is the molecular weight of (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate?
The molecular weight of (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate is 439.11 g/mol.
Where can I buy (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate?
You can request a quote for (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate?
Yes, KEHONG BIO provides custom synthesis services for (8-(Methyldithio)-1-naphthyl)methyl-8-amino-2,6-anhydro-3,8-dideoxyoctonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.