TimTec1_004117
TL;DR: TimTec1_004117 (CAS 303064-19-9) is a chemical compound with molecular formula C14H14O6S and molecular weight 310.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-carboxy-2-methylfuran-3-yl)methylsulfanylmethyl]-5-methylfuran-3-carboxylic acid
Also Known As: TimTec1_004117, H1-A1NI2, 9, BAS 01171823, 4-((((3-carboxy-5-methylfuran-2-yl)methyl)thio)methyl)-5-methylfuran-2-carboxylic acid, 4-({[(3-carboxy-5-methylfuran-2-yl)methyl]sulfanyl}methyl)-5-methylfuran-2-carboxylic acid
| Molecular Formula | C14H14O6S |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 310.05112 |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 303064-19-9 |
|---|---|
| SMILES | CC1=CC(=C(O1)CSCC2=C(OC(=C2)C(=O)O)C)C(=O)O |
| InChIKey | RXIUWANGZARSBV-UHFFFAOYSA-N |
Product Overview
TimTec1_004117 (CAS 303064-19-9), with molecular formula C14H14O6S and molecular weight 310.05 g/mol. IUPAC: 2-[(5-carboxy-2-methylfuran-3-yl)methylsulfanylmethyl]-5-methylfuran-3-carboxylic acid.
Chemical Property Profile of TimTec1_004117
Property Insights of TimTec1_004117
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TimTec1_004117. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TimTec1_004117. Following Lipinski's Rule of Five, TimTec1_004117 has 2 hydrogen bond donor(s) and 7 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 TimTec1_004117?
The CAS number of TimTec1_004117 is 303064-19-9.
What is the molecular formula of TimTec1_004117?
The molecular formula of TimTec1_004117 is C14H14O6S.
What is the molecular weight of TimTec1_004117?
The molecular weight of TimTec1_004117 is 310.05 g/mol.
Where can I buy TimTec1_004117?
You can request a quote for TimTec1_004117 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for TimTec1_004117?
Yes, KEHONG BIO provides custom synthesis services for TimTec1_004117 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.