双环(1.1.1)戊烷
TL;DR: 双环(1.1.1)戊烷 (CAS 311-75-1) is a chemical compound with molecular formula C15H18O8 and molecular weight 326.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双环(1.1.1)戊烷
3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;furan-2,5-dione;propane-1,2-diol
Also Known As: 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, polymer with 2,5-furandione and 1,2-propanediol, (C8-H8-O3.C4-H2-O3.C3-H8-O2)x-, 3a,4,7,7a-tetrahydroisobenzofuran-1,3-dione; furan-2,5-dione; propane-1,2-diol, 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione; furan-2,5-dione; propane-1,2-diol
| Molecular Formula | C15H18O8 |
|---|---|
| Molecular Weight | 326.10 g/mol |
| LogP | -0.3623 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 326.10016 |
| Heavy Atoms | 23 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 311-75-1 |
|---|---|
| SMILES | CC(CO)O.C1C=CCC2C1C(=O)OC2=O.C1=CC(=O)OC1=O |
| InChIKey | IYFGLRVCMLCYTG-UHFFFAOYSA-N |
Product Overview
双环(1.1.1)戊烷 (CAS 311-75-1), with molecular formula C15H18O8 and molecular weight 326.10 g/mol. IUPAC: 3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;furan-2,5-dione;propane-1,2-diol.
Chemical Property Profile of 双环(1.1.1)戊烷
Property Insights of 双环(1.1.1)戊烷
The XLogP value of -0.3623 indicates that 双环(1.1.1)戊烷 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 双环(1.1.1)戊烷. Following Lipinski's Rule of Five, 双环(1.1.1)戊烷 has 2 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 双环(1.1.1)戊烷?
The CAS number of 双环(1.1.1)戊烷 is 311-75-1.
What is the molecular formula of 双环(1.1.1)戊烷?
The molecular formula of 双环(1.1.1)戊烷 is C15H18O8.
What is the molecular weight of 双环(1.1.1)戊烷?
The molecular weight of 双环(1.1.1)戊烷 is 326.10 g/mol.
Where can I buy 双环(1.1.1)戊烷?
You can request a quote for 双环(1.1.1)戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双环(1.1.1)戊烷?
Yes, KEHONG BIO provides custom synthesis services for 双环(1.1.1)戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.