Di-2-naphthylthiocarbazone
TL;DR: Di-2-naphthylthiocarbazone (CAS 27765-22-6) is a chemical compound with molecular formula C22H32O8 and molecular weight 424.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate
Also Known As: Di-2-naphthylthiocarbazone, 3-Methylbutanoic acid 4-((acetyloxy)methyl)-4a,5,6,7a-tetrahydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, Butanoic acid, 3-methyl-, 4-((acetyloxy)methyl)-4a,5,6,7a-tetrahydrospiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester, Isovaleric acid, 4a,5,6,7a-tetrahydro-4-(hydroxymethyl)spiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diyl ester acetate, Spiro(cyclopenta(c)pyran-7(1H),2'-oxirane)-1,6-diol, 4a,5,6,7a-tetrahydro-4-(hydroxymethyl)-, 4-acetate diisovalerate
| Molecular Formula | C22H32O8 |
|---|---|
| Molecular Weight | 424.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 424.20972 |
| Heavy Atoms | 30 |
| Complexity | 712.0 |
Chemical Identifiers
| CAS Number | 27765-22-6 |
|---|---|
| SMILES | CC(C)CC(=O)OC1CC2C(C13CO3)C(OC=C2COC(=O)C)OC(=O)CC(C)C |
| InChIKey | KQEOKUJOWVGWDX-UHFFFAOYSA-N |
Product Overview
Di-2-naphthylthiocarbazone (CAS 27765-22-6), with molecular formula C22H32O8 and molecular weight 424.21 g/mol. IUPAC: [4-(acetyloxymethyl)-1-(3-methylbutanoyloxy)spiro[4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-7,2'-oxirane]-6-yl] 3-methylbutanoate.
Chemical Property Profile of Di-2-naphthylthiocarbazone
Property Insights of Di-2-naphthylthiocarbazone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Di-2-naphthylthiocarbazone. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Di-2-naphthylthiocarbazone. Following Lipinski's Rule of Five, Di-2-naphthylthiocarbazone has 0 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 Di-2-naphthylthiocarbazone?
The CAS number of Di-2-naphthylthiocarbazone is 27765-22-6.
What is the molecular formula of Di-2-naphthylthiocarbazone?
The molecular formula of Di-2-naphthylthiocarbazone is C22H32O8.
What is the molecular weight of Di-2-naphthylthiocarbazone?
The molecular weight of Di-2-naphthylthiocarbazone is 424.21 g/mol.
Where can I buy Di-2-naphthylthiocarbazone?
You can request a quote for Di-2-naphthylthiocarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-2-naphthylthiocarbazone?
Yes, KEHONG BIO provides custom synthesis services for Di-2-naphthylthiocarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.