((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide
TL;DR: ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide (CAS 83120-41-6) is a chemical compound with molecular formula C13H12Cl2O5S-2 and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6,7-dichloro-1,1-dioxido-2-propyl-1-benzothiophen-5-yl)oxy]acetic acid
Also Known As: ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide, 2-(6,7-dichloro-1,1-dioxido-2-propyl-benzothiophen-5-yl)oxyacetic Acid, 2-[(6,7-dichloro-1,1-dioxido-2-propyl-1-benzothiophen-5-yl)oxy]acetic acid
| Molecular Formula | C13H12Cl2O5S-2 |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 93.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.97824 |
| Heavy Atoms | 21 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 83120-41-6 |
|---|---|
| SMILES | CCCC1=CC2=CC(=C(C(=C2S1([O-])[O-])Cl)Cl)OCC(=O)O |
| InChIKey | CTPWVENMQNTJGZ-UHFFFAOYSA-L |
Product Overview
((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide (CAS 83120-41-6), with molecular formula C13H12Cl2O5S-2 and molecular weight 349.98 g/mol. IUPAC: 2-[(6,7-dichloro-1,1-dioxido-2-propyl-1-benzothiophen-5-yl)oxy]acetic acid.
Chemical Property Profile of ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide
Property Insights of ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide
The XLogP value of 3.4 indicates that ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide. Following Lipinski's Rule of Five, ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide has 1 hydrogen bond donor(s) and 6 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 ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide?
The CAS number of ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide is 83120-41-6.
What is the molecular formula of ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide?
The molecular formula of ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide is C13H12Cl2O5S-2.
What is the molecular weight of ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide?
The molecular weight of ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide is 349.98 g/mol.
Where can I buy ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide?
You can request a quote for ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for ((6,7-Dichloro-2-propylbenzo(b)thien-5-yl)oxy)acetic acid 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.