BAS 00649039
TL;DR: BAS 00649039 (CAS 331865-90-8) is a chemical compound with molecular formula C23H19NO5 and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
Also Known As: BAS 00649039, 2-oxo-2-phenylethyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)benzoate, phenacyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate, 2-oxo-2-phenylethyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)benzoate, 2-oxo-2-phenylethyl 3-(1,3-dioxo-4,7,3a,7a-tetrahydroisoindol-2-yl)benzoate
| Molecular Formula | C23H19NO5 |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 3.1819 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.1263 |
| Heavy Atoms | 29 |
| Complexity | 984.9381 |
Chemical Identifiers
| CAS Number | 331865-90-8 |
|---|---|
| SMILES | C1C=CCC2C1C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)OCC(=O)C4=CC=CC=C4 |
Product Overview
BAS 00649039 (CAS 331865-90-8), with molecular formula C23H19NO5 and molecular weight 389.13 g/mol. IUPAC: phenacyl 3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate.
Chemical Property Profile of BAS 00649039
Property Insights of BAS 00649039
The XLogP value of 3.1819 indicates that BAS 00649039 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00649039. Following Lipinski's Rule of Five, BAS 00649039 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 BAS 00649039?
The CAS number of BAS 00649039 is 331865-90-8.
What is the molecular formula of BAS 00649039?
The molecular formula of BAS 00649039 is C23H19NO5.
What is the molecular weight of BAS 00649039?
The molecular weight of BAS 00649039 is 389.13 g/mol.
Where can I buy BAS 00649039?
You can request a quote for BAS 00649039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00649039?
Yes, KEHONG BIO provides custom synthesis services for BAS 00649039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.