4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile
TL;DR: 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile (CAS 339060-92-3) is a chemical compound with molecular formula C16H16Cl3N3 and molecular weight 355.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1-adamantylamino)-2,5,6-trichloropyridine-3-carbonitrile
Also Known As: 4-(1-Adamantylamino)-2,5,6-trichloronicotinonitrile, 4-(1-Adamantylamino)-2,5,6-trichloronicotinonitrile #, 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile, 4-(1-adamantylamino)-2,5,6-trichloropyridine-3-carbonitrile, 4-((1s,3s)-adamantan-1-ylamino)-2,5,6-trichloronicotinonitrile
| Molecular Formula | C16H16Cl3N3 |
|---|---|
| Molecular Weight | 355.04 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 48.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 355.041 |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 339060-92-3 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC(=C4Cl)Cl)Cl)C#N |
| InChIKey | NTZGFGYEJLPQNK-UHFFFAOYSA-N |
Product Overview
4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile (CAS 339060-92-3), with molecular formula C16H16Cl3N3 and molecular weight 355.04 g/mol. IUPAC: 4-(1-adamantylamino)-2,5,6-trichloropyridine-3-carbonitrile.
Chemical Property Profile of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile
Property Insights of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile
The XLogP value of 6.3 indicates that 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile?
The CAS number of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile is 339060-92-3.
What is the molecular formula of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile?
The molecular formula of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile is C16H16Cl3N3.
What is the molecular weight of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile?
The molecular weight of 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile is 355.04 g/mol.
Where can I buy 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile?
You can request a quote for 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(Adamantan-1-ylamino)-2,5,6-trichloro-nicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.