(3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide
TL;DR: (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide (CAS 182242-06-4) is a chemical compound with molecular formula C7H13N3O2 and molecular weight 171.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,7aR)-1-methoxy-2-oxido-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium
Also Known As: (3aS,7aR)-1-methoxy-2-oxido-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium, (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide, (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzo[d][1,2,3]triazole 2-oxide
| Molecular Formula | C7H13N3O2 |
|---|---|
| Molecular Weight | 171.10 g/mol |
| LogP | 1.0521 |
| Topological Polar Surface Area | 50.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 171.10077 |
| Heavy Atoms | 12 |
| Complexity | 206.82817 |
Chemical Identifiers
| CAS Number | 182242-06-4 |
|---|---|
| SMILES | CON1[C@@H]2CCCC[C@@H]2N=[N+]1[O-] |
Product Overview
(3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide (CAS 182242-06-4), with molecular formula C7H13N3O2 and molecular weight 171.10 g/mol. IUPAC: (3aS,7aR)-1-methoxy-2-oxido-3a,4,5,6,7,7a-hexahydrobenzotriazol-2-ium.
Chemical Property Profile of (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide
Property Insights of (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide
The XLogP value of 1.0521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide. With a topological polar surface area (TPSA) of 50.9 Ų, (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide has 0 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 (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide?
The CAS number of (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide is 182242-06-4.
What is the molecular formula of (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide?
The molecular formula of (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide is C7H13N3O2.
What is the molecular weight of (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide?
The molecular weight of (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide is 171.10 g/mol.
Where can I buy (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide?
You can request a quote for (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide?
Yes, KEHONG BIO provides custom synthesis services for (3aS,7aR)-1-methoxy-3a,4,5,6,7,7a-hexahydro-1H-benzotriazole 2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.