1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol
TL;DR: 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol (CAS 6968-69-0) is a chemical compound with molecular formula C6H8Cl2O2 and molecular weight 181.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
Also Known As: KST-1B7756, 1,4:3,6-dianhydro-2,5-dichloro-2,5-dideoxyhexitol, 3,6-dichloro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
| Molecular Formula | C6H8Cl2O2 |
|---|---|
| Molecular Weight | 181.99 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.99013 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 6968-69-0 |
|---|---|
| SMILES | C1C(C2C(O1)C(CO2)Cl)Cl |
| InChIKey | LJIOMAFJGPKVQZ-UHFFFAOYSA-N |
Product Overview
1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol (CAS 6968-69-0), with molecular formula C6H8Cl2O2 and molecular weight 181.99 g/mol. IUPAC: 3,6-dichloro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan.
Chemical Property Profile of 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol
Property Insights of 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol. With a topological polar surface area (TPSA) of 18.5 Ų, 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol has 0 hydrogen bond donor(s) and 2 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 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol?
The CAS number of 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol is 6968-69-0.
What is the molecular formula of 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol?
The molecular formula of 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol is C6H8Cl2O2.
What is the molecular weight of 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol?
The molecular weight of 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol is 181.99 g/mol.
Where can I buy 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol?
You can request a quote for 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol?
Yes, KEHONG BIO provides custom synthesis services for 1,4:3,6-Dianhydro-2,5-dichloro-2,5-dideoxyhexitol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.