(1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol
TL;DR: (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol (CAS 63996-84-9) is a chemical compound with molecular formula C21H27NOS and molecular weight 341.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol
Also Known As: Tibalosine, Tibalosina, Tibalosinum, Tibalosin, Tibalosin [INN]
| Molecular Formula | C21H27NOS |
|---|---|
| Molecular Weight | 341.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 341.18134 |
| Heavy Atoms | 24 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 63996-84-9 |
|---|---|
| SMILES | CC([C@H](C1=CC2=C(C=C1)SCC2)O)NCCCCC3=CC=CC=C3 |
| InChIKey | FJLRGFADCXTJNV-CAWMZFRYSA-N |
Product Overview
(1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol (CAS 63996-84-9), with molecular formula C21H27NOS and molecular weight 341.18 g/mol. IUPAC: (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol.
Chemical Property Profile of (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol
Property Insights of (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol
The XLogP value of 4.3 indicates that (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol has 2 hydrogen bond donor(s) and 3 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 (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol?
The CAS number of (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol is 63996-84-9.
What is the molecular formula of (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol?
The molecular formula of (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol is C21H27NOS.
What is the molecular weight of (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol?
The molecular weight of (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol is 341.18 g/mol.
Where can I buy (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol?
You can request a quote for (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for (1S)-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-(4-phenylbutylamino)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.