Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester
TL;DR: Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester (CAS 23598-65-4) is a chemical compound with molecular formula C16H17NO5 and molecular weight 303.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]benzoate
Also Known As: 1,3-Isobenzofurandione,5-(2-propynyloxy), 2-Oxazolidinone, 3-(p-ethoxycarbonylphenyl)-5-(2-propynyloxymethyl)-, BENZOIC ACID, 4-(2-OXO-5-(2-PROPYNYLOXYMETHYL)-3-OXAZOLIDINYL)-, ETHYL ESTER, 4-[2-Oxo-5-[ methyl]oxazolidin-3-yl]benzoicacidethylester, 4-[2-oxo-5-[methyl]oxazolidin-3-yl]benzoicacidethylester
| Molecular Formula | C16H17NO5 |
|---|---|
| Molecular Weight | 303.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 303.1107 |
| Heavy Atoms | 22 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 23598-65-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2CC(OC2=O)COCC#C |
| InChIKey | IFIDAWHXNBSEON-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester (CAS 23598-65-4), with molecular formula C16H17NO5 and molecular weight 303.11 g/mol. IUPAC: ethyl 4-[2-oxo-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-3-yl]benzoate.
Chemical Property Profile of Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester
Property Insights of Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester has 0 hydrogen bond donor(s) and 5 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 Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester?
The CAS number of Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester is 23598-65-4.
What is the molecular formula of Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester?
The molecular formula of Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester is C16H17NO5.
What is the molecular weight of Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester?
The molecular weight of Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester is 303.11 g/mol.
Where can I buy Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester?
You can request a quote for Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(2-oxo-5-(2-propynyloxymethyl)-3-oxazolidinyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.