![5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) structure](/static/products/5248/52485-57-1.webp)
5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)
TL;DR: 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) (CAS 52485-57-1) is a chemical compound with molecular formula C15H23NO7S and molecular weight 361.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;4-methylbenzenesulfonic acid
Also Known As: 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl), 4-Methylbenzene-1-sulfonic acid--3,5-O-(1-methylethylidene)pentofuranosylamine (1/1), 8-amino-3,3-dimethyl-2,4,7-trioxabicyclo[4.3.0]nonan-9-ol; 4-methylbenzenesulfonic acid, 6-amino-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol,4-methylbenzenesulfonic acid, 6-amino-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol; 4-methylbenzenesulfonic acid
| Molecular Formula | C15H23NO7S |
|---|---|
| Molecular Weight | 361.12 g/mol |
| LogP | 0.42412 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 361.11954 |
| Heavy Atoms | 24 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 52485-57-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.CC1(OCC2C(O1)C(C(O2)N)O)C |
| InChIKey | PCBIUWUJFSOLBQ-UHFFFAOYSA-N |
Product Overview
5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) (CAS 52485-57-1), with molecular formula C15H23NO7S and molecular weight 361.12 g/mol. IUPAC: 6-amino-2,2-dimethyl-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol;4-methylbenzenesulfonic acid.
Chemical Property Profile of 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)
Property Insights of 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)
The XLogP value of 0.42412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl). The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl). Following Lipinski's Rule of Five, 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) has 3 hydrogen bond donor(s) and 8 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 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)?
The CAS number of 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) is 52485-57-1.
What is the molecular formula of 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)?
The molecular formula of 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) is C15H23NO7S.
What is the molecular weight of 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)?
The molecular weight of 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) is 361.12 g/mol.
Where can I buy 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)?
You can request a quote for 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl)?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptenoic acid,7-(3-oxo-6-oxabicyclo[3.1.0]hex-2-yl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.