6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile
TL;DR: 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile (CAS 339165-88-7) 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.
6-(1-adamantylamino)-2,4,5-trichloropyridine-3-carbonitrile
Also Known As: 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile, BAS 00518450, 6-(1-adamantylamino)-2,4,5-trichloropyridine-3-carbonitrile, 6-(adamantan-1-ylamino)-2,4,5-trichloronicotinonitrile, 6-(Adamantan-1-ylamino)-2,4,5-trichloro-nicotinonitrile
| Molecular Formula | C16H16Cl3N3 |
|---|---|
| Molecular Weight | 355.04 g/mol |
| LogP | 5.8 |
| 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 | 339165-88-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)NC4=C(C(=C(C(=N4)Cl)C#N)Cl)Cl |
| InChIKey | LIIUNCOQNQQGFQ-UHFFFAOYSA-N |
Product Overview
6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile (CAS 339165-88-7), with molecular formula C16H16Cl3N3 and molecular weight 355.04 g/mol. IUPAC: 6-(1-adamantylamino)-2,4,5-trichloropyridine-3-carbonitrile.
Chemical Property Profile of 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile
Property Insights of 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile
The XLogP value of 5.8 indicates that 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.7 Ų, 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile 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 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile?
The CAS number of 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile is 339165-88-7.
What is the molecular formula of 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile?
The molecular formula of 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile is C16H16Cl3N3.
What is the molecular weight of 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile?
The molecular weight of 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile is 355.04 g/mol.
Where can I buy 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile?
You can request a quote for 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Adamantylamino)-2,4,5-trichloronicotinonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.