3-N-butyl-4,5-dihydrophthalide, (S)-
TL;DR: 3-N-butyl-4,5-dihydrophthalide, (S)- (CAS 62006-39-7) is a chemical compound with molecular formula C12H16O2 and molecular weight 192.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-butyl-4,5-dihydro-3H-2-benzofuran-1-one
Also Known As: Senkyunolide A, Senkyunolide, Sedanenolide, (S)-Sedanenolide, (-)-Sedanenolide
| Molecular Formula | C12H16O2 |
|---|---|
| Molecular Weight | 192.12 g/mol |
| LogP | 2.7486 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.11504 |
| Heavy Atoms | 14 |
| Complexity | 299.4436 |
Chemical Identifiers
| CAS Number | 62006-39-7 |
|---|---|
| SMILES | CCCC[C@H]1C2=C(C=CCC2)C(=O)O1 |
Product Overview
3-N-butyl-4,5-dihydrophthalide, (S)- (CAS 62006-39-7), with molecular formula C12H16O2 and molecular weight 192.12 g/mol. IUPAC: (3S)-3-butyl-4,5-dihydro-3H-2-benzofuran-1-one.
Chemical Property Profile of 3-N-butyl-4,5-dihydrophthalide, (S)-
Property Insights of 3-N-butyl-4,5-dihydrophthalide, (S)-
The XLogP value of 2.7486 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-N-butyl-4,5-dihydrophthalide, (S)-. With a topological polar surface area (TPSA) of 26.3 Ų, 3-N-butyl-4,5-dihydrophthalide, (S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-N-butyl-4,5-dihydrophthalide, (S)- has 0 hydrogen bond donor(s) and 2 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 3-N-butyl-4,5-dihydrophthalide, (S)-?
The CAS number of 3-N-butyl-4,5-dihydrophthalide, (S)- is 62006-39-7.
What is the molecular formula of 3-N-butyl-4,5-dihydrophthalide, (S)-?
The molecular formula of 3-N-butyl-4,5-dihydrophthalide, (S)- is C12H16O2.
What is the molecular weight of 3-N-butyl-4,5-dihydrophthalide, (S)-?
The molecular weight of 3-N-butyl-4,5-dihydrophthalide, (S)- is 192.12 g/mol.
Where can I buy 3-N-butyl-4,5-dihydrophthalide, (S)-?
You can request a quote for 3-N-butyl-4,5-dihydrophthalide, (S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-N-butyl-4,5-dihydrophthalide, (S)-?
Yes, KEHONG BIO provides custom synthesis services for 3-N-butyl-4,5-dihydrophthalide, (S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.