ChemDiv2_002201
TL;DR: ChemDiv2_002201 (CAS 303065-19-2) 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.
5-[(4-carboxy-5-methylfuran-2-yl)methylsulfanylmethyl]-2-methylfuran-3-carboxylic acid
Also Known As: ChemDiv2_002201, BAS 01171984, BRD-K99004176-001-01-5, BRD-K99004176-001-03-1, A0595/0027503
| Molecular Formula | C14H14O6S |
|---|---|
| Molecular Weight | 310.05 g/mol |
| LogP | 1.9 |
| 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 | 365.0 |
Chemical Identifiers
| CAS Number | 303065-19-2 |
|---|---|
| SMILES | CC1=C(C=C(O1)CSCC2=CC(=C(O2)C)C(=O)O)C(=O)O |
| InChIKey | NZYGSXIHAOWTMO-UHFFFAOYSA-N |
Product Overview
ChemDiv2_002201 (CAS 303065-19-2), with molecular formula C14H14O6S and molecular weight 310.05 g/mol. IUPAC: 5-[(4-carboxy-5-methylfuran-2-yl)methylsulfanylmethyl]-2-methylfuran-3-carboxylic acid.
Chemical Property Profile of ChemDiv2_002201
Property Insights of ChemDiv2_002201
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_002201. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_002201. Following Lipinski's Rule of Five, ChemDiv2_002201 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 ChemDiv2_002201?
The CAS number of ChemDiv2_002201 is 303065-19-2.
What is the molecular formula of ChemDiv2_002201?
The molecular formula of ChemDiv2_002201 is C14H14O6S.
What is the molecular weight of ChemDiv2_002201?
The molecular weight of ChemDiv2_002201 is 310.05 g/mol.
Where can I buy ChemDiv2_002201?
You can request a quote for ChemDiv2_002201 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_002201?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_002201 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.