Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester
TL;DR: Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester (CAS 63992-03-0) is a chemical compound with molecular formula C12H10ClNO6 and molecular weight 299.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methoxy]-4-oxobutanoic acid
Also Known As: Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester, 2-Benzoxazolinone, 5-chloro-3-(3-carboxypropionyloxy)methyl-, 4-[(6-chloro-2-oxo-1,3-benzoxazol-3(2h)-yl)methoxy]-4-oxobutanoic acid, 4-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methoxy]-4-oxobutanoic acid, 3-[bis(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)cyclopropylidene]pentane-2,4-dione
| Molecular Formula | C12H10ClNO6 |
|---|---|
| Molecular Weight | 299.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.01965 |
| Heavy Atoms | 20 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 63992-03-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)OC(=O)N2COC(=O)CCC(=O)O |
| InChIKey | VMHZBJLIWFAJCX-UHFFFAOYSA-N |
Product Overview
Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester (CAS 63992-03-0), with molecular formula C12H10ClNO6 and molecular weight 299.02 g/mol. IUPAC: 4-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methoxy]-4-oxobutanoic acid.
Chemical Property Profile of Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester
Property Insights of Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester. Following Lipinski's Rule of Five, Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester has 1 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 Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester?
The CAS number of Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester is 63992-03-0.
What is the molecular formula of Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester?
The molecular formula of Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester is C12H10ClNO6.
What is the molecular weight of Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester?
The molecular weight of Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester is 299.02 g/mol.
Where can I buy Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester?
You can request a quote for Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Succinic acid, (5-chloro-2-benzoxazolinon-3-yl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.