![[C16H25NS] structure](/static/products/1100/110044-91-2.webp)
[C16H25NS]
TL;DR: [C16H25NS] (CAS 110044-91-2) 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.
(3R,4R,4aR,8aR)-4-isothiocyanato-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
Also Known As: [C16H25NS]|Naphthalene, decahydro-1-isothiocyanato-4a-methyl-8-methylene-2-(1-methylethyl)-, (1alpha,2beta,4aalpha,8aalpha)-|(1R,2R,4aR,8aR)-1-Isothiocyanato-4a-methyl-8-methylidene-2-(propan-2-yl)decahydronaphthalene|(3R,4R,4aR,8aR)-4-isothiocyanato-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene
| Molecular Formula | C16H25NS |
|---|---|
| Molecular Weight | 263.17 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 263.17078 |
| Heavy Atoms | 18 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 110044-91-2 |
|---|---|
| SMILES | CC(C)[C@H]1CC[C@]2(CCCC(=C)[C@H]2[C@@H]1N=C=S)C |
| InChIKey | TXWOJUKUJKANMH-QKPAOTATSA-N |
Product Overview
[C16H25NS] (CAS 110044-91-2), with molecular formula C16H25NS and molecular weight 263.17 g/mol. IUPAC: (3R,4R,4aR,8aR)-4-isothiocyanato-8a-methyl-5-methylidene-3-propan-2-yl-1,2,3,4,4a,6,7,8-octahydronaphthalene.
Chemical Property Profile of [C16H25NS]
Property Insights of [C16H25NS]
The XLogP value of 6.2 indicates that [C16H25NS] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.5 Ų, [C16H25NS] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [C16H25NS] has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [C16H25NS]?
The CAS number of [C16H25NS] is 110044-91-2.
What is the molecular formula of [C16H25NS]?
The molecular formula of [C16H25NS] is C16H25NS.
What is the molecular weight of [C16H25NS]?
The molecular weight of [C16H25NS] is 263.17 g/mol.
Where can I buy [C16H25NS]?
You can request a quote for [C16H25NS] directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [C16H25NS]?
Yes, KEHONG BIO provides custom synthesis services for [C16H25NS] and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.