Tolafentrine
TL;DR: Tolafentrine (CAS 139308-65-9) is a chemical compound with molecular formula C28H31N3O4S and molecular weight 505.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide
Also Known As: Tolafentrine, tolafentrina, tolafentrinum, tolafentrine[inn], Tolafentrine [INN]
| Molecular Formula | C28H31N3O4S |
|---|---|
| Molecular Weight | 505.20 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.20352 |
| Heavy Atoms | 36 |
| Complexity | 874.0 |
Chemical Identifiers
| CAS Number | 139308-65-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=N[C@H]4CCN(C[C@H]4C5=CC(=C(C=C53)OC)OC)C |
| InChIKey | FVZJIAUYFDQQKJ-DQEYMECFSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tolafentrine (CAS 139308-65-9), with molecular formula C28H31N3O4S and molecular weight 505.20 g/mol. IUPAC: N-[4-[(4aS,10bR)-8,9-dimethoxy-2-methyl-3,4,4a,10b-tetrahydro-1H-benzo[c][1,6]naphthyridin-6-yl]phenyl]-4-methylbenzenesulfonamide.
Chemical Property Profile of Tolafentrine
Property Insights of Tolafentrine
The XLogP value of 4.1 indicates that Tolafentrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tolafentrine. Following Lipinski's Rule of Five, Tolafentrine has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tolafentrine?
The CAS number of Tolafentrine is 139308-65-9.
What is the molecular formula of Tolafentrine?
The molecular formula of Tolafentrine is C28H31N3O4S.
What is the molecular weight of Tolafentrine?
The molecular weight of Tolafentrine is 505.20 g/mol.
Where can I buy Tolafentrine?
You can request a quote for Tolafentrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolafentrine?
Yes, KEHONG BIO provides custom synthesis services for Tolafentrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.