RefChem:381121
TL;DR: RefChem:381121 (CAS 13699-43-9) is a chemical compound with molecular formula C18H21NO3 and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2',6'-dimethyl-2-prop-2-enylspiro[isoquinoline-4,4'-oxane]-1,3-dione
Also Known As: N-Allyl-2',6'-dimethyl-2',3',5',6'-tetrahydro(4'-spiro-alpha)pyranohomophthalimide, Spiro(isoquinoline-4(1H),4'-(4H)pyran)-1,3(2H)-dione, 2',3',5',6'-tetrahydro-2-allyl-2',6'-dimethyl-, 2',6'-dimethyl-2-prop-2-enylspiro[isoquinoline-4,4'-oxane]-1,3-dione, 2',6'-Dimethyl-2-(prop-2-en-1-yl)-1H-spiro[isoquinoline-4,4'-oxane]-1,3(2H)-dione, RefChem:381121
| Molecular Formula | C18H21NO3 |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.15213 |
| Heavy Atoms | 22 |
| Complexity | 477.0 |
Chemical Identifiers
| CAS Number | 13699-43-9 |
|---|---|
| SMILES | CC1CC2(CC(O1)C)C3=CC=CC=C3C(=O)N(C2=O)CC=C |
| InChIKey | QYVUKOVUHWDWAD-UHFFFAOYSA-N |
Product Overview
RefChem:381121 (CAS 13699-43-9), with molecular formula C18H21NO3 and molecular weight 299.15 g/mol. IUPAC: 2',6'-dimethyl-2-prop-2-enylspiro[isoquinoline-4,4'-oxane]-1,3-dione.
Chemical Property Profile of RefChem:381121
Property Insights of RefChem:381121
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:381121. With a topological polar surface area (TPSA) of 46.6 Ų, RefChem:381121 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:381121 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 RefChem:381121?
The CAS number of RefChem:381121 is 13699-43-9.
What is the molecular formula of RefChem:381121?
The molecular formula of RefChem:381121 is C18H21NO3.
What is the molecular weight of RefChem:381121?
The molecular weight of RefChem:381121 is 299.15 g/mol.
Where can I buy RefChem:381121?
You can request a quote for RefChem:381121 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:381121?
Yes, KEHONG BIO provides custom synthesis services for RefChem:381121 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.