BAS 00334197
TL;DR: BAS 00334197 (CAS 22931-28-8) is a chemical compound with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,N-diethylacetamide
Also Known As: BAS 00334197, 2-(5-chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N,N-diethylacetamide, 2-(5-chloro-1,3-dioxo(4,7,3a,7a-tetrahydroisoindol-2-yl))-N,N-diethylacetamide, 2-(5-Chloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-isoindol-2-yl)-N,N-diethyl-acetamide, 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-yl)-N,N-diethylacetamide
| Molecular Formula | C14H19ClN2O3 |
|---|---|
| Molecular Weight | 298.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.10843 |
| Heavy Atoms | 20 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 22931-28-8 |
|---|---|
| SMILES | CCN(CC)C(=O)CN1C(=O)C2CC=C(CC2C1=O)Cl |
| InChIKey | OVDWYSXALMLOQI-UHFFFAOYSA-N |
Product Overview
BAS 00334197 (CAS 22931-28-8), with molecular formula C14H19ClN2O3 and molecular weight 298.11 g/mol. IUPAC: 2-(5-chloro-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N,N-diethylacetamide.
Chemical Property Profile of BAS 00334197
Property Insights of BAS 00334197
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00334197. With a topological polar surface area (TPSA) of 57.7 Ų, BAS 00334197 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00334197 has 0 hydrogen bond donor(s) and 3 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 00334197?
The CAS number of BAS 00334197 is 22931-28-8.
What is the molecular formula of BAS 00334197?
The molecular formula of BAS 00334197 is C14H19ClN2O3.
What is the molecular weight of BAS 00334197?
The molecular weight of BAS 00334197 is 298.11 g/mol.
Where can I buy BAS 00334197?
You can request a quote for BAS 00334197 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00334197?
Yes, KEHONG BIO provides custom synthesis services for BAS 00334197 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.