3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮
TL;DR: 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 (CAS 16726-03-7) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮
5-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: Epikure YH 306, Epikure YH306, KST-1A9364, YH306, 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-4-(3-methyl-2-butenyl)-
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 16726-03-7 |
|---|---|
| SMILES | CC1=CCC2C(C1CC=C(C)C)C(=O)OC2=O |
| InChIKey | KPKSFNJCYGUOHN-UHFFFAOYSA-N |
Product Overview
3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 (CAS 16726-03-7), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: 5-methyl-4-(3-methylbut-2-enyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮
Property Insights of 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮. With a topological polar surface area (TPSA) of 43.4 Ų, 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 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 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮?
The CAS number of 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 is 16726-03-7.
What is the molecular formula of 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮?
The molecular formula of 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 is C14H18O3.
What is the molecular weight of 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮?
The molecular weight of 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 is 234.13 g/mol.
Where can I buy 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮?
You can request a quote for 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮?
Yes, KEHONG BIO provides custom synthesis services for 3a,4,7,7a-四氢-5-甲基-4-(3-甲基-2-丁烯-1-基)-1,3-异苯并呋喃二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.