Benzeneacetic acid, 4-(1,3-dithian-2-yl)-
TL;DR: Benzeneacetic acid, 4-(1,3-dithian-2-yl)- (CAS 43153-14-6) is a chemical compound with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Benzeneacetic acid, 4-(1,3-dithian-2-yl)-
2-[4-(1,3-dithian-2-yl)phenyl]acetic acid
Also Known As: 4-(1,3-Dithian-2-yl)benzeneacetic acid, Benzeneacetic acid, 4-(1,3-dithian-2-yl)-, Acide (dithianne-2,6)-4 phenylacetique, Acide (dithianne-2,6)-4 phenylacetique [French], 2-[4-(1,3-dithian-2-yl)phenyl]acetic acid
| Molecular Formula | C12H14O2S2 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.04352 |
| Heavy Atoms | 16 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 43153-14-6 |
|---|---|
| SMILES | C1CSC(SC1)C2=CC=C(C=C2)CC(=O)O |
| InChIKey | ABYVBJNCCFGGAG-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 4-(1,3-dithian-2-yl)- (CAS 43153-14-6), with molecular formula C12H14O2S2 and molecular weight 254.04 g/mol. IUPAC: 2-[4-(1,3-dithian-2-yl)phenyl]acetic acid.
Chemical Property Profile of Benzeneacetic acid, 4-(1,3-dithian-2-yl)-
Property Insights of Benzeneacetic acid, 4-(1,3-dithian-2-yl)-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzeneacetic acid, 4-(1,3-dithian-2-yl)-. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzeneacetic acid, 4-(1,3-dithian-2-yl)-. Following Lipinski's Rule of Five, 4-(1,3-二噻烷-2-基)苯乙酸 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 4-(1,3-二噻烷-2-基)苯乙酸?
The CAS number of 4-(1,3-二噻烷-2-基)苯乙酸 is 43153-14-6.
What is the molecular formula of 4-(1,3-二噻烷-2-基)苯乙酸?
The molecular formula of 4-(1,3-二噻烷-2-基)苯乙酸 is C12H14O2S2.
What is the molecular weight of 4-(1,3-二噻烷-2-基)苯乙酸?
The molecular weight of 4-(1,3-二噻烷-2-基)苯乙酸 is 254.04 g/mol.
Where can I buy 4-(1,3-二噻烷-2-基)苯乙酸?
You can request a quote for 4-(1,3-二噻烷-2-基)苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-二噻烷-2-基)苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-二噻烷-2-基)苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.