Indoleacetic Acid Inhibitor 45
TL;DR: Indoleacetic Acid Inhibitor 45 (CAS 245117-19-5) is a chemical compound with molecular formula C18H10ClF3N2O2S and molecular weight 410.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[7-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid
Also Known As: Indoleacetic Acid Inhibitor 45, 2-{7-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid, {7-Chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]-1H-indol-1-yl}acetic acid, 2-[7-chloro-3-[(4,5,7-trifluorobenzothiazol-2-yl)methyl]indol-1-yl]acetic Acid, 7-Chloro-3-[(4,5,7-trifluoro-2-benzothiazolyl)methyl]-1H-indole-1-acetic acid
| Molecular Formula | C18H10ClF3N2O2S |
|---|---|
| Molecular Weight | 410.01 g/mol |
| LogP | 4.9971 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.01038 |
| Heavy Atoms | 27 |
| Complexity | 1218.729 |
Chemical Identifiers
| CAS Number | 245117-19-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)N(C=C2CC3=NC4=C(C(=CC(=C4S3)F)F)F)CC(=O)O |
Product Overview
Indoleacetic Acid Inhibitor 45 (CAS 245117-19-5), with molecular formula C18H10ClF3N2O2S and molecular weight 410.01 g/mol. IUPAC: 2-[7-chloro-3-[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]indol-1-yl]acetic acid.
Chemical Property Profile of Indoleacetic Acid Inhibitor 45
Property Insights of Indoleacetic Acid Inhibitor 45
The XLogP value of 4.9971 indicates that Indoleacetic Acid Inhibitor 45 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.12 Ų, Indoleacetic Acid Inhibitor 45 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Indoleacetic Acid Inhibitor 45 has 1 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 Indoleacetic Acid Inhibitor 45?
The CAS number of Indoleacetic Acid Inhibitor 45 is 245117-19-5.
What is the molecular formula of Indoleacetic Acid Inhibitor 45?
The molecular formula of Indoleacetic Acid Inhibitor 45 is C18H10ClF3N2O2S.
What is the molecular weight of Indoleacetic Acid Inhibitor 45?
The molecular weight of Indoleacetic Acid Inhibitor 45 is 410.01 g/mol.
Where can I buy Indoleacetic Acid Inhibitor 45?
You can request a quote for Indoleacetic Acid Inhibitor 45 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Indoleacetic Acid Inhibitor 45?
Yes, KEHONG BIO provides custom synthesis services for Indoleacetic Acid Inhibitor 45 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.