3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one
TL;DR: 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one (CAS 65277-13-6) is a chemical compound with molecular formula C9H13ClO4 and molecular weight 220.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-4,5-dihydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
Also Known As: 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one, 3-chloro-4,5-dihydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1-be, 3-chloro-4,5-dihydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one
| Molecular Formula | C9H13ClO4 |
|---|---|
| Molecular Weight | 220.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.05023 |
| Heavy Atoms | 14 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 65277-13-6 |
|---|---|
| SMILES | CC1(C2C(CCC(C2O)O)OC1=O)Cl |
| InChIKey | OFWHIJRAQJDKFZ-UHFFFAOYSA-N |
Product Overview
3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one (CAS 65277-13-6), with molecular formula C9H13ClO4 and molecular weight 220.05 g/mol. IUPAC: 3-chloro-4,5-dihydroxy-3-methyl-3a,4,5,6,7,7a-hexahydro-1-benzofuran-2-one.
Chemical Property Profile of 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one
Property Insights of 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one. Following Lipinski's Rule of Five, 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one has 2 hydrogen bond donor(s) and 4 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-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one?
The CAS number of 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one is 65277-13-6.
What is the molecular formula of 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one?
The molecular formula of 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one is C9H13ClO4.
What is the molecular weight of 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one?
The molecular weight of 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one is 220.05 g/mol.
Where can I buy 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one?
You can request a quote for 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-4,5-dihydroxy-3-methylhexahydro-1-benzofuran-2(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.