![3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene structure](/static/products/913/91391-51-4.png)
3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene
TL;DR: 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene (CAS 91391-51-4) is a chemical compound with molecular formula C12H10Cl4O and molecular weight 309.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-tetrachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
Also Known As: 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene
| Molecular Formula | C12H10Cl4O |
|---|---|
| Molecular Weight | 309.95 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.94858 |
| Heavy Atoms | 17 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 91391-51-4 |
|---|---|
| SMILES | C1C2C3C(C1C4C2O4)C5(CC3(C(=C5Cl)Cl)Cl)Cl |
| InChIKey | LIYPVKFEUBWTBI-UHFFFAOYSA-N |
Product Overview
3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene (CAS 91391-51-4), with molecular formula C12H10Cl4O and molecular weight 309.95 g/mol. IUPAC: 3,4,5,6-tetrachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene.
Chemical Property Profile of 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene
Property Insights of 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene. With a topological polar surface area (TPSA) of 12.5 Ų, 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene has 0 hydrogen bond donor(s) and 1 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 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene?
The CAS number of 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene is 91391-51-4.
What is the molecular formula of 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene?
The molecular formula of 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene is C12H10Cl4O.
What is the molecular weight of 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene?
The molecular weight of 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene is 309.95 g/mol.
Where can I buy 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene?
You can request a quote for 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-tetrachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphtho[2,3-b]oxirene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.