3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-
TL;DR: 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- (CAS 31936-99-9) is a chemical compound with molecular formula C10H8O2S2 and molecular weight 224.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(thiophen-3-ylmethyl)thiophene-3-carboxylic acid
Also Known As: 2,3'-Dithienylmethan-3-carbonaeure, 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-, 2-(thiophen-3-ylmethyl)thiophene-3-carboxylic acid, 2-[(Thiophen-3-yl)methyl]thiophene-3-carboxylic acid
| Molecular Formula | C10H8O2S2 |
|---|---|
| Molecular Weight | 224.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.99657 |
| Heavy Atoms | 14 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 31936-99-9 |
|---|---|
| SMILES | C1=CSC=C1CC2=C(C=CS2)C(=O)O |
| InChIKey | WFWBMALCUUREHE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- (CAS 31936-99-9), with molecular formula C10H8O2S2 and molecular weight 224.00 g/mol. IUPAC: 2-(thiophen-3-ylmethyl)thiophene-3-carboxylic acid.
Chemical Property Profile of 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-
Property Insights of 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-. Following Lipinski's Rule of Five, 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- 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 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-?
The CAS number of 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- is 31936-99-9.
What is the molecular formula of 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-?
The molecular formula of 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- is C10H8O2S2.
What is the molecular weight of 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-?
The molecular weight of 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- is 224.00 g/mol.
Where can I buy 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-?
You can request a quote for 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.