Thiosalicylsaeure-amid
TL;DR: Thiosalicylsaeure-amid (CAS 5697-24-5) is a chemical compound with molecular formula C19H16F5NO3S and molecular weight 433.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Thiosalicylsaeure-amid, propan-2-yl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, PROPAN-2-YL 2-[(2,3,4,5,6-PENTAFLUOROBENZOYL)AMINO]-4,5,6,7-TETRAHYDROBENZOTHIOPHENE-3-CARBOXYLATE, isopropyl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Propan-2-yl 2-(2,3,4,5,6-pentafluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C19H16F5NO3S |
|---|---|
| Molecular Weight | 433.08 g/mol |
| LogP | 5.1399 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.07712 |
| Heavy Atoms | 29 |
| Complexity | 973.4564 |
Chemical Identifiers
| CAS Number | 5697-24-5 |
|---|---|
| SMILES | CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
Thiosalicylsaeure-amid (CAS 5697-24-5), with molecular formula C19H16F5NO3S and molecular weight 433.08 g/mol. IUPAC: propan-2-yl 2-[(2,3,4,5,6-pentafluorobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Thiosalicylsaeure-amid
Property Insights of Thiosalicylsaeure-amid
The XLogP value of 5.1399 indicates that Thiosalicylsaeure-amid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Thiosalicylsaeure-amid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thiosalicylsaeure-amid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Thiosalicylsaeure-amid?
The CAS number of Thiosalicylsaeure-amid is 5697-24-5.
What is the molecular formula of Thiosalicylsaeure-amid?
The molecular formula of Thiosalicylsaeure-amid is C19H16F5NO3S.
What is the molecular weight of Thiosalicylsaeure-amid?
The molecular weight of Thiosalicylsaeure-amid is 433.08 g/mol.
Where can I buy Thiosalicylsaeure-amid?
You can request a quote for Thiosalicylsaeure-amid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiosalicylsaeure-amid?
Yes, KEHONG BIO provides custom synthesis services for Thiosalicylsaeure-amid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.