1,8-diamino-3,6-dithiooctane
TL;DR: 1,8-diamino-3,6-dithiooctane (CAS 21057-06-7) is a chemical compound with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethylsulfanyl]ethylsulfanyl]ethyliminomethyl]phenol
Also Known As: 1,8-diamino-3,6-dithiooctane, 1,8-Bis(salicylideneamino)-3,6-dithiaoctane, 2,2 -[Ethylenebis(thioethylenenitrilomethylidyne)]bisphenol, (6E)-6-[[2-[2-[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)me, (6E)-6-[[2-[2-[2-[[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]ethylsulfanyl]ethylsulfanyl]ethylamino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C20H24N2O2S2 |
|---|---|
| Molecular Weight | 388.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 388.12793 |
| Heavy Atoms | 26 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 21057-06-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NCCSCCSCCN=CC2=CC=CC=C2O)O |
| InChIKey | HBAWYVGIKDXZDG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-diamino-3,6-dithiooctane (CAS 21057-06-7), with molecular formula C20H24N2O2S2 and molecular weight 388.13 g/mol. IUPAC: 2-[2-[2-[2-[(2-hydroxyphenyl)methylideneamino]ethylsulfanyl]ethylsulfanyl]ethyliminomethyl]phenol.
Chemical Property Profile of 1,8-diamino-3,6-dithiooctane
Property Insights of 1,8-diamino-3,6-dithiooctane
The XLogP value of 3.4 indicates that 1,8-diamino-3,6-dithiooctane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-diamino-3,6-dithiooctane. Following Lipinski's Rule of Five, 1,8-diamino-3,6-dithiooctane has 2 hydrogen bond donor(s) and 6 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 1,8-diamino-3,6-dithiooctane?
The CAS number of 1,8-diamino-3,6-dithiooctane is 21057-06-7.
What is the molecular formula of 1,8-diamino-3,6-dithiooctane?
The molecular formula of 1,8-diamino-3,6-dithiooctane is C20H24N2O2S2.
What is the molecular weight of 1,8-diamino-3,6-dithiooctane?
The molecular weight of 1,8-diamino-3,6-dithiooctane is 388.13 g/mol.
Where can I buy 1,8-diamino-3,6-dithiooctane?
You can request a quote for 1,8-diamino-3,6-dithiooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-diamino-3,6-dithiooctane?
Yes, KEHONG BIO provides custom synthesis services for 1,8-diamino-3,6-dithiooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.