ChemDiv1_012493
TL;DR: ChemDiv1_012493 (CAS 314026-22-7) is a chemical compound with molecular formula C16H18BrNO4 and molecular weight 367.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-bromo-1'-(3,3-dimethyl-2-oxobutyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one
Also Known As: ChemDiv1_012493, AN-806/14214008, 5-bromo-1-(3,3-dimethyl-2-oxobutyl)-1,3-dihydro-2-oxospiro[2H-indole-3,2'-(1,3)-dioxolane], Spiro[1,3-dioxolane-2,3'-[3H]indol]-2'(1'H)-one, 5'-bromo-1'-(3,3-dimethyl-2-oxobutyl)-, 5'-Bromo-1'-(3,3-dimethyl-2-oxobutyl)spiro(1,3-dioxolane-2,3'-(3H)indol)-2'(1'H)-one
| Molecular Formula | C16H18BrNO4 |
|---|---|
| Molecular Weight | 367.04 g/mol |
| LogP | 2.6105 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 367.04193 |
| Heavy Atoms | 22 |
| Complexity | 644.03613 |
Chemical Identifiers
| CAS Number | 314026-22-7 |
|---|---|
| SMILES | CC(C)(C)C(=O)CN1C2=C(C=C(C=C2)Br)C3(C1=O)OCCO3 |
Product Overview
ChemDiv1_012493 (CAS 314026-22-7), with molecular formula C16H18BrNO4 and molecular weight 367.04 g/mol. IUPAC: 5'-bromo-1'-(3,3-dimethyl-2-oxobutyl)spiro[1,3-dioxolane-2,3'-indole]-2'-one.
Chemical Property Profile of ChemDiv1_012493
Property Insights of ChemDiv1_012493
The XLogP value of 2.6105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_012493. With a topological polar surface area (TPSA) of 55.84 Ų, ChemDiv1_012493 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_012493 has 0 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 ChemDiv1_012493?
The CAS number of ChemDiv1_012493 is 314026-22-7.
What is the molecular formula of ChemDiv1_012493?
The molecular formula of ChemDiv1_012493 is C16H18BrNO4.
What is the molecular weight of ChemDiv1_012493?
The molecular weight of ChemDiv1_012493 is 367.04 g/mol.
Where can I buy ChemDiv1_012493?
You can request a quote for ChemDiv1_012493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012493?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.