![2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile structure](/static/products/634/634593-33-2.png)
2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
TL;DR: 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile (CAS 634593-33-2) is a chemical compound with molecular formula C26H30N2OS and molecular weight 418.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-hydroxynaphthalen-1-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Also Known As: 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-[(2-hydroxynaphthalen-1-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-{[(2-hydroxynaphthalen-1-yl)methyl]amino}-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
| Molecular Formula | C26H30N2OS |
|---|---|
| Molecular Weight | 418.21 g/mol |
| LogP | 7.31008 |
| Topological Polar Surface Area | 56.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.2079 |
| Heavy Atoms | 30 |
| Complexity | 1047.1036 |
Chemical Identifiers
| CAS Number | 634593-33-2 |
|---|---|
| SMILES | C1CCCCCC2=C(CCCC1)C(=C(S2)NCC3=C(C=CC4=CC=CC=C43)O)C#N |
Product Overview
2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile (CAS 634593-33-2), with molecular formula C26H30N2OS and molecular weight 418.21 g/mol. IUPAC: 2-[(2-hydroxynaphthalen-1-yl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile.
Chemical Property Profile of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Property Insights of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
The XLogP value of 7.31008 indicates that 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.05 Ų, 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
The CAS number of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile is 634593-33-2.
What is the molecular formula of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
The molecular formula of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile is C26H30N2OS.
What is the molecular weight of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
The molecular weight of 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile is 418.21 g/mol.
Where can I buy 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
You can request a quote for 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(((2-hydroxynaphthalen-1-yl)methyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.