3-(2,5-二溴噻吩-3-基)丙烯酸
TL;DR: 3-(2,5-二溴噻吩-3-基)丙烯酸 (CAS 1199-42-4) is a chemical compound with molecular formula C7H4Br2O2S and molecular weight 309.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,5-二溴噻吩-3-基)丙烯酸
3-(2,5-dibromothiophen-3-yl)prop-2-enoic acid
Also Known As: 3-(2,5-dibromothiophen-3-yl)prop-2-enoic acid, (E)-3-(2,5-dibromothiophen-3-yl)prop-2-enoic acid
| Molecular Formula | C7H4Br2O2S |
|---|---|
| Molecular Weight | 309.83 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.8299 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 1199-42-4 |
|---|---|
| SMILES | C1=C(SC(=C1C=CC(=O)O)Br)Br |
| InChIKey | DVXZZONDJLGLIN-UHFFFAOYSA-N |
Product Overview
3-(2,5-二溴噻吩-3-基)丙烯酸 (CAS 1199-42-4), with molecular formula C7H4Br2O2S and molecular weight 309.83 g/mol. IUPAC: 3-(2,5-dibromothiophen-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(2,5-二溴噻吩-3-基)丙烯酸
Property Insights of 3-(2,5-二溴噻吩-3-基)丙烯酸
The XLogP value of 3.6 indicates that 3-(2,5-二溴噻吩-3-基)丙烯酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-二溴噻吩-3-基)丙烯酸. Following Lipinski's Rule of Five, 3-(2,5-二溴噻吩-3-基)丙烯酸 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 3-(2,5-二溴噻吩-3-基)丙烯酸?
The CAS number of 3-(2,5-二溴噻吩-3-基)丙烯酸 is 1199-42-4.
What is the molecular formula of 3-(2,5-二溴噻吩-3-基)丙烯酸?
The molecular formula of 3-(2,5-二溴噻吩-3-基)丙烯酸 is C7H4Br2O2S.
What is the molecular weight of 3-(2,5-二溴噻吩-3-基)丙烯酸?
The molecular weight of 3-(2,5-二溴噻吩-3-基)丙烯酸 is 309.83 g/mol.
Where can I buy 3-(2,5-二溴噻吩-3-基)丙烯酸?
You can request a quote for 3-(2,5-二溴噻吩-3-基)丙烯酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-二溴噻吩-3-基)丙烯酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-二溴噻吩-3-基)丙烯酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.