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5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid
TL;DR: 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid (CAS 667409-87-2) is a chemical compound with molecular formula C13H13NO6 and molecular weight 279.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(oxolane-2-carbonylamino)benzene-1,3-dicarboxylic acid
Also Known As: CBKinase1_003600, CBKinase1_016000, BAS 06636648, 5-(tetrahydrofuran-2-carboxamido)isophthalic acid, 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid
| Molecular Formula | C13H13NO6 |
|---|---|
| Molecular Weight | 279.07 g/mol |
| LogP | 1.2005 |
| Topological Polar Surface Area | 112.93 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.07428 |
| Heavy Atoms | 20 |
| Complexity | 529.72986 |
Chemical Identifiers
| CAS Number | 667409-87-2 |
|---|---|
| SMILES | C1CC(OC1)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O |
Product Overview
5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid (CAS 667409-87-2), with molecular formula C13H13NO6 and molecular weight 279.07 g/mol. IUPAC: 5-(oxolane-2-carbonylamino)benzene-1,3-dicarboxylic acid.
Chemical Property Profile of 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid
Property Insights of 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid
The XLogP value of 1.2005 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid. The TPSA of 112.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid. Following Lipinski's Rule of Five, 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid has 3 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 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid?
The CAS number of 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid is 667409-87-2.
What is the molecular formula of 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid?
The molecular formula of 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid is C13H13NO6.
What is the molecular weight of 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid?
The molecular weight of 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid is 279.07 g/mol.
Where can I buy 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid?
You can request a quote for 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[(Tetrahydro-furan-2-carbonyl)-amino]-isophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.