Axisothiocyanate 2
TL;DR: Axisothiocyanate 2 (CAS 56012-90-9) is a chemical compound with molecular formula C16H25NS and molecular weight 263.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-isothiocyanato-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
Also Known As: Axisothiocyanate 2, Decahydro-4-isothiocyanato-1,1,4,7-tetramethyl-1H-cycloprop[e]azulene, 4-isothiocyanato-1,1,4,7-tetramethyl-decahydro-1H-cyclopropa[e]azulene, 4-isothiocyanato-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene
| Molecular Formula | C16H25NS |
|---|---|
| Molecular Weight | 263.17 g/mol |
| LogP | 4.5762 |
| Topological Polar Surface Area | 12.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.17078 |
| Heavy Atoms | 18 |
| Complexity | 409.32004 |
Chemical Identifiers
| CAS Number | 56012-90-9 |
|---|---|
| SMILES | CC1CCC2C1C3C(C3(C)C)CCC2(C)N=C=S |
Product Overview
Axisothiocyanate 2 (CAS 56012-90-9), with molecular formula C16H25NS and molecular weight 263.17 g/mol. IUPAC: 4-isothiocyanato-1,1,4,7-tetramethyl-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene.
Chemical Property Profile of Axisothiocyanate 2
Property Insights of Axisothiocyanate 2
The XLogP value of 4.5762 indicates that Axisothiocyanate 2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.36 Ų, Axisothiocyanate 2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Axisothiocyanate 2 has 0 hydrogen bond donor(s) and 2 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 Axisothiocyanate 2?
The CAS number of Axisothiocyanate 2 is 56012-90-9.
What is the molecular formula of Axisothiocyanate 2?
The molecular formula of Axisothiocyanate 2 is C16H25NS.
What is the molecular weight of Axisothiocyanate 2?
The molecular weight of Axisothiocyanate 2 is 263.17 g/mol.
Where can I buy Axisothiocyanate 2?
You can request a quote for Axisothiocyanate 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Axisothiocyanate 2?
Yes, KEHONG BIO provides custom synthesis services for Axisothiocyanate 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.