RefChem:83009
TL;DR: RefChem:83009 (CAS 71829-80-6) is a chemical compound with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2H-benzotriazole;3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
Also Known As: EINECS 276-047-8, Dihydro-3-(tetrapropenyl)-2,5-furandione, compd. with methyl-1H-benzotriazole, 2,5-Furandione, dihydro-3-(tetrapropenyl)-, compd. with 6(or 7)-methyl-1H-benzotriazole (1:?), 2,5-Furandione, dihydro-3-(tetrapropenyl)-, compd. with methyl-1H-benzotriazole, Dihydro-3-(tetrapropenyl)furan-2,5-dione, compound with methyl-1H-benzotriazole
| Molecular Formula | C23H27N3O3 |
|---|---|
| Molecular Weight | 393.21 g/mol |
| LogP | 4.61332 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.20523 |
| Heavy Atoms | 29 |
| Complexity | 995.7167 |
Chemical Identifiers
| CAS Number | 71829-80-6 |
|---|---|
| SMILES | C/C=C/C1C(C(=O)OC1=O)/C(=C(/C)\C=C\C)/C=C/C.CC1=CC=CC2=NNN=C12 |
Product Overview
RefChem:83009 (CAS 71829-80-6), with molecular formula C23H27N3O3 and molecular weight 393.21 g/mol. IUPAC: 4-methyl-2H-benzotriazole;3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione.
Chemical Property Profile of RefChem:83009
Property Insights of RefChem:83009
The XLogP value of 4.61332 indicates that RefChem:83009 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:83009. Following Lipinski's Rule of Five, RefChem:83009 has 1 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 RefChem:83009?
The CAS number of RefChem:83009 is 71829-80-6.
What is the molecular formula of RefChem:83009?
The molecular formula of RefChem:83009 is C23H27N3O3.
What is the molecular weight of RefChem:83009?
The molecular weight of RefChem:83009 is 393.21 g/mol.
Where can I buy RefChem:83009?
You can request a quote for RefChem:83009 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83009?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83009 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.