Tox21_300464
TL;DR: Tox21_300464 (CAS 135080-03-4) is a chemical compound with molecular formula C14H7Cl2FN2O3S and molecular weight 371.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-(4-chlorothiophene-2-carbonyl)-5-fluoro-2-oxo-3H-indole-1-carboxamide
Also Known As: Tox21_300464, CAS-135080-03-4, 6-chloro-3-(4-chlorothiophene-2-carbonyl)-5-fluoro-2-oxo-3H-indole-1-carboxamide, 6-Chloro-3-(4-chlorothiophene-2-carbonyl)-5-fluoro-2-oxo-2,3-dihydro-1H-indole-1-carboxamide
| Molecular Formula | C14H7Cl2FN2O3S |
|---|---|
| Molecular Weight | 371.95 g/mol |
| LogP | 3.5858 |
| Topological Polar Surface Area | 80.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 371.95386 |
| Heavy Atoms | 23 |
| Complexity | 867.70245 |
Chemical Identifiers
| CAS Number | 135080-03-4 |
|---|---|
| SMILES | C1=C2C(C(=O)N(C2=CC(=C1F)Cl)C(=O)N)C(=O)C3=CC(=CS3)Cl |
Product Overview
Tox21_300464 (CAS 135080-03-4), with molecular formula C14H7Cl2FN2O3S and molecular weight 371.95 g/mol. IUPAC: 6-chloro-3-(4-chlorothiophene-2-carbonyl)-5-fluoro-2-oxo-3H-indole-1-carboxamide.
Chemical Property Profile of Tox21_300464
Property Insights of Tox21_300464
The XLogP value of 3.5858 indicates that Tox21_300464 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Tox21_300464. Following Lipinski's Rule of Five, Tox21_300464 has 1 hydrogen bond donor(s) and 4 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 Tox21_300464?
The CAS number of Tox21_300464 is 135080-03-4.
What is the molecular formula of Tox21_300464?
The molecular formula of Tox21_300464 is C14H7Cl2FN2O3S.
What is the molecular weight of Tox21_300464?
The molecular weight of Tox21_300464 is 371.95 g/mol.
Where can I buy Tox21_300464?
You can request a quote for Tox21_300464 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tox21_300464?
Yes, KEHONG BIO provides custom synthesis services for Tox21_300464 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.