C12H20N2O4S2.1/2H2O
TL;DR: C12H20N2O4S2.1/2H2O (CAS 128487-70-7) is a chemical compound with molecular formula C12H20N2O4S2 and molecular weight 320.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-amino-2-sulfosulfanylethylidene)amino]-1-hydroxyadamantane
Also Known As: C12H20N2O4S2.1/2H2O, C12-H20-N2-O4-S2.1/2H2-O, Thiosulfuric acid, S-(2-((5-hydroxytricyclo(3.3.1.1(sup 3,7))dec-2-yl)amino)-2-iminoethyl ester, hydrate (2:1), 4-[(1-amino-2-sulfosulfanylethylidene)amino]-1-hydroxyadamantane, 4-[(1-amino-2-sulfosulfanyl-ethylidene)amino]-1-hydroxy-adamantane
| Molecular Formula | C12H20N2O4S2 |
|---|---|
| Molecular Weight | 320.09 g/mol |
| LogP | 0.8192 |
| Topological Polar Surface Area | 112.98 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.08646 |
| Heavy Atoms | 20 |
| Complexity | 517.57544 |
Chemical Identifiers
| CAS Number | 128487-70-7 |
|---|---|
| SMILES | C1C2CC3CC(C2)(CC1C3N=C(CSS(=O)(=O)O)N)O |
Product Overview
C12H20N2O4S2.1/2H2O (CAS 128487-70-7), with molecular formula C12H20N2O4S2 and molecular weight 320.09 g/mol. IUPAC: 4-[(1-amino-2-sulfosulfanylethylidene)amino]-1-hydroxyadamantane.
Chemical Property Profile of C12H20N2O4S2.1/2H2O
Property Insights of C12H20N2O4S2.1/2H2O
The XLogP value of 0.8192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C12H20N2O4S2.1/2H2O. The TPSA of 112.98 Ų falls within the moderate polarity range, balancing permeability and solubility for C12H20N2O4S2.1/2H2O. Following Lipinski's Rule of Five, C12H20N2O4S2.1/2H2O has 3 hydrogen bond donor(s) and 5 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 C12H20N2O4S2.1/2H2O?
The CAS number of C12H20N2O4S2.1/2H2O is 128487-70-7.
What is the molecular formula of C12H20N2O4S2.1/2H2O?
The molecular formula of C12H20N2O4S2.1/2H2O is C12H20N2O4S2.
What is the molecular weight of C12H20N2O4S2.1/2H2O?
The molecular weight of C12H20N2O4S2.1/2H2O is 320.09 g/mol.
Where can I buy C12H20N2O4S2.1/2H2O?
You can request a quote for C12H20N2O4S2.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C12H20N2O4S2.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C12H20N2O4S2.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.