2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene
TL;DR: 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene (CAS 60204-70-8) is a chemical compound with molecular formula C10H17NO2 and molecular weight 183.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane
Also Known As: trimethyl[?], CC12COC3(C)CCC(C)(OC2)N13, 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta[cd]pentalene, 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene, 2a,4a,6a-trimethyl-hexahydro-1,4-dioxa-6b-aza-cyclopenta[cd]
| Molecular Formula | C10H17NO2 |
|---|---|
| Molecular Weight | 183.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 21.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.12593 |
| Heavy Atoms | 13 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 60204-70-8 |
|---|---|
| SMILES | CC12CCC3(N1C(CO2)(CO3)C)C |
| InChIKey | KKVDKBQPJBNAFI-UHFFFAOYSA-N |
Product Overview
2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene (CAS 60204-70-8), with molecular formula C10H17NO2 and molecular weight 183.13 g/mol. IUPAC: 1,4,7-trimethyl-2,6-dioxa-10-azatricyclo[5.2.1.04,10]decane.
Chemical Property Profile of 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene
Property Insights of 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene. With a topological polar surface area (TPSA) of 21.7 Ų, 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene 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 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene?
The CAS number of 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene is 60204-70-8.
What is the molecular formula of 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene?
The molecular formula of 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene is C10H17NO2.
What is the molecular weight of 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene?
The molecular weight of 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene is 183.13 g/mol.
Where can I buy 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene?
You can request a quote for 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene?
Yes, KEHONG BIO provides custom synthesis services for 2a,4a,6a-Trimethylhexahydro-2H-1,4-dioxa-6b-azacyclopenta(cd)pentalene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.