7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one
TL;DR: 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one (CAS 59874-49-6) is a chemical compound with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,8bS)-7-chloro-3a-methyl-1,8b-dihydrofuro[3,4-b][1]benzofuran-3-one
Also Known As: Cid 6453869, 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one, (3aS,8bS)-7-chloro-3a-methyl-1,8b-dihydrofuro[3,4-b][1]benzofuran-3-one, 7-Chloro-3a-methyl-3a,8b-dihydrofuro[3,4-b][1]benzofuran-3(1H)-one, (3aS,8bS)-7-Chloro-3a-methyl-3a,8b-dihydrofuro[3,4-b][1]benzofuran-3(1H)-one
| Molecular Formula | C11H9ClO3 |
|---|---|
| Molecular Weight | 224.02 g/mol |
| LogP | 2.1315 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.02402 |
| Heavy Atoms | 15 |
| Complexity | 457.1463 |
Chemical Identifiers
| CAS Number | 59874-49-6 |
|---|---|
| SMILES | C[C@]12[C@H](COC1=O)C3=C(O2)C=CC(=C3)Cl |
Product Overview
7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one (CAS 59874-49-6), with molecular formula C11H9ClO3 and molecular weight 224.02 g/mol. IUPAC: (3aS,8bS)-7-chloro-3a-methyl-1,8b-dihydrofuro[3,4-b][1]benzofuran-3-one.
Chemical Property Profile of 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one
Property Insights of 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one
The XLogP value of 2.1315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one. With a topological polar surface area (TPSA) of 35.53 Ų, 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one 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 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one?
The CAS number of 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one is 59874-49-6.
What is the molecular formula of 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one?
The molecular formula of 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one is C11H9ClO3.
What is the molecular weight of 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one?
The molecular weight of 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one is 224.02 g/mol.
Where can I buy 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one?
You can request a quote for 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3a,8b-dihydro-3a-methylfuro(3,4-b)benzofuran-3(lH)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.