4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
TL;DR: 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- (CAS 51155-03-4) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
Also Known As: Hexahydro-4,7-epoxy-2-benzofuran-1(3H)-one, J1.602.456B, (3a-alpha,4-beta,7-beta,7a-alpha)-Hexahydro-4,7-epoxyisobenzofuran-1(3H)-one, 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-, (1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 51155-03-4 |
|---|---|
| SMILES | C1C[C@H]2[C@H]3[C@@H]([C@@H]1O2)COC3=O |
| InChIKey | ZMBDOIYQGZHKEU-MVIOUDGNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- (CAS 51155-03-4), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: (1S,2R,6R,7R)-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one.
Chemical Property Profile of 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
Property Insights of 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-. With a topological polar surface area (TPSA) of 35.5 Ų, 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- 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 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The CAS number of 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- is 51155-03-4.
What is the molecular formula of 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The molecular formula of 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- is C8H10O3.
What is the molecular weight of 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
The molecular weight of 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- is 154.06 g/mol.
Where can I buy 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
You can request a quote for 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-, (3a-alpha,4-beta,7-beta,7a-alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.