RefChem:327272
TL;DR: RefChem:327272 (CAS 41205-47-4) is a chemical compound with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-methyl-2-oxo-3-prop-2-enyloxolane-3-carbonyl)carbamoylamino]benzoic acid
Also Known As: alpha-Allyl-alpha-(p-carboxyphenyl)allophanyl-gamma-methyl-gamma-butyrolactone, alpha-Allilo-alpha-(p-karboksyfenylo)-allofanylo-gamma-metylo-gamma-butyrolaktonu [Polish], alpha-Allilo-alpha-(p-karboksyfenylo)-allofanylo-gamma-metylo-gamma-butyrolaktonu, Benzoic acid, 4-(((((tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-3-furanyl)carbonyl)amino)carbonyl)amino)-, 4-[(5-methyl-2-oxo-3-prop-2-enyloxolane-3-carbonyl)carbamoylamino]benzoic acid
| Molecular Formula | C17H18N2O6 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.1165 |
| Heavy Atoms | 25 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 41205-47-4 |
|---|---|
| SMILES | CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)C(=O)O |
| InChIKey | PFNFSHYWOXSVHR-UHFFFAOYSA-N |
Product Overview
RefChem:327272 (CAS 41205-47-4), with molecular formula C17H18N2O6 and molecular weight 346.12 g/mol. IUPAC: 4-[(5-methyl-2-oxo-3-prop-2-enyloxolane-3-carbonyl)carbamoylamino]benzoic acid.
Chemical Property Profile of RefChem:327272
Property Insights of RefChem:327272
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:327272. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327272. Following Lipinski's Rule of Five, RefChem:327272 has 3 hydrogen bond donor(s) and 6 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 RefChem:327272?
The CAS number of RefChem:327272 is 41205-47-4.
What is the molecular formula of RefChem:327272?
The molecular formula of RefChem:327272 is C17H18N2O6.
What is the molecular weight of RefChem:327272?
The molecular weight of RefChem:327272 is 346.12 g/mol.
Where can I buy RefChem:327272?
You can request a quote for RefChem:327272 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327272?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327272 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.