![2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile structure](/static/products/634/634593-32-1.png)
2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
TL;DR: 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile (CAS 634593-32-1) is a chemical compound with molecular formula C24H32N2O2S and molecular weight 412.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Also Known As: 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-[(3,4-dimethoxybenzyl)amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile, 2-[(3,4-dimethoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
| Molecular Formula | C24H32N2O2S |
|---|---|
| Molecular Weight | 412.22 g/mol |
| LogP | 6.46848 |
| Topological Polar Surface Area | 54.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.21844 |
| Heavy Atoms | 29 |
| Complexity | 838.1367 |
Chemical Identifiers
| CAS Number | 634593-32-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CNC2=C(C3=C(S2)CCCCCCCCCC3)C#N)OC |
Product Overview
2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile (CAS 634593-32-1), with molecular formula C24H32N2O2S and molecular weight 412.22 g/mol. IUPAC: 2-[(3,4-dimethoxyphenyl)methylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile.
Chemical Property Profile of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
Property Insights of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile
The XLogP value of 6.46848 indicates that 2-((3,4-dimethoxybenzyl)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 54.28 Ų, 2-((3,4-dimethoxybenzyl)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-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
The CAS number of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile is 634593-32-1.
What is the molecular formula of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
The molecular formula of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile is C24H32N2O2S.
What is the molecular weight of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
The molecular weight of 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile is 412.22 g/mol.
Where can I buy 2-((3,4-dimethoxybenzyl)amino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carbonitrile?
You can request a quote for 2-((3,4-dimethoxybenzyl)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-((3,4-dimethoxybenzyl)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-((3,4-dimethoxybenzyl)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.