![2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol structure](/static/products/861/861453-99-8.png)
2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol
TL;DR: 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol (CAS 861453-99-8) is a chemical compound with molecular formula C16H21NO2S and molecular weight 291.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol
Also Known As: 2-{[4-(2-Thienylmethoxy)benzyl]amino}, 2-{[4-(thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol, 2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol, 2-{[4-(2-thienylmethoxy)benzyl]amino}-1-butanol, AN-465/42244375
| Molecular Formula | C16H21NO2S |
|---|---|
| Molecular Weight | 291.13 g/mol |
| LogP | 3.1876 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 291.1293 |
| Heavy Atoms | 20 |
| Complexity | 477.6878 |
Chemical Identifiers
| CAS Number | 861453-99-8 |
|---|---|
| SMILES | CCC(CO)NCC1=CC=C(C=C1)OCC2=CC=CS2 |
Product Overview
2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol (CAS 861453-99-8), with molecular formula C16H21NO2S and molecular weight 291.13 g/mol. IUPAC: 2-[[4-(thiophen-2-ylmethoxy)phenyl]methylamino]butan-1-ol.
Chemical Property Profile of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol
Property Insights of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol
The XLogP value of 3.1876 indicates that 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.49 Ų, 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol?
The CAS number of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol is 861453-99-8.
What is the molecular formula of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol?
The molecular formula of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol is C16H21NO2S.
What is the molecular weight of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol?
The molecular weight of 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol is 291.13 g/mol.
Where can I buy 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol?
You can request a quote for 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(Thiophen-2-ylmethoxy)benzyl]amino}butan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.