Tipentosin
TL;DR: Tipentosin (CAS 5345-11-9) is a chemical compound with molecular formula C21H25NO3S and molecular weight 371.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one
Also Known As: Tipentosina, Tipentosine, Tipentosin [INN:BAN], Mdl 19744A, TIPENTOSIN [INN]
| Molecular Formula | C21H25NO3S |
|---|---|
| Molecular Weight | 371.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 86.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.15552 |
| Heavy Atoms | 26 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 5345-11-9 |
|---|---|
| SMILES | CC1=CC2=C(S1)CCC(C2=O)CN[C@H]3CC[C@@H]([C@H]3O)OC4=CC=CC=C4 |
| InChIKey | IMKMRGOTDDUQHF-MAHSACTOSA-N |
Product Overview
Tipentosin (CAS 5345-11-9), with molecular formula C21H25NO3S and molecular weight 371.16 g/mol. IUPAC: 5-[[[(1S,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]amino]methyl]-2-methyl-6,7-dihydro-5H-1-benzothiophen-4-one.
Chemical Property Profile of Tipentosin
Property Insights of Tipentosin
The XLogP value of 3.4 indicates that Tipentosin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tipentosin. Following Lipinski's Rule of Five, Tipentosin has 2 hydrogen bond donor(s) and 5 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 Tipentosin?
The CAS number of Tipentosin is 5345-11-9.
What is the molecular formula of Tipentosin?
The molecular formula of Tipentosin is C21H25NO3S.
What is the molecular weight of Tipentosin?
The molecular weight of Tipentosin is 371.16 g/mol.
Where can I buy Tipentosin?
You can request a quote for Tipentosin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tipentosin?
Yes, KEHONG BIO provides custom synthesis services for Tipentosin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.