RefChem:279587
TL;DR: RefChem:279587 (CAS 16587-39-6) is a chemical compound with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)carbamoyl]-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
Also Known As: alpha-Allyl-alpha-(p-chlorophenyl)-allophanyl-gamma-methyl-gamma-butyrolactone, alpha-Allilo-alpha-(p-chlorofenylo)-allofanylo-gamma-metylo-gamma-butyrolaktonu [Polish], 3-Allyl-N-[(4-chlorophenyl)carbamoyl]-5-methyl-2-oxotetrahyd, 3-Furancarboxamide, N-(((4-chlorophenyl)amino)carbonyl)tetrahydro-5-methyl-2-oxo-3-(2-propenyl)-, alpha-Allilo-alpha-(p-chlorofenylo)-allofanylo-gamma-metylo-gamma-butyrolaktonu
| Molecular Formula | C16H17ClN2O4 |
|---|---|
| Molecular Weight | 336.09 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.08768 |
| Heavy Atoms | 23 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 16587-39-6 |
|---|---|
| SMILES | CC1CC(C(=O)O1)(CC=C)C(=O)NC(=O)NC2=CC=C(C=C2)Cl |
| InChIKey | ZPMIOWSJVVTTPO-UHFFFAOYSA-N |
Product Overview
RefChem:279587 (CAS 16587-39-6), with molecular formula C16H17ClN2O4 and molecular weight 336.09 g/mol. IUPAC: N-[(4-chlorophenyl)carbamoyl]-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide.
Chemical Property Profile of RefChem:279587
Property Insights of RefChem:279587
The XLogP value of 4.0 indicates that RefChem:279587 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:279587. Following Lipinski's Rule of Five, RefChem:279587 has 2 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 RefChem:279587?
The CAS number of RefChem:279587 is 16587-39-6.
What is the molecular formula of RefChem:279587?
The molecular formula of RefChem:279587 is C16H17ClN2O4.
What is the molecular weight of RefChem:279587?
The molecular weight of RefChem:279587 is 336.09 g/mol.
Where can I buy RefChem:279587?
You can request a quote for RefChem:279587 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:279587?
Yes, KEHONG BIO provides custom synthesis services for RefChem:279587 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.