7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
TL;DR: 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CAS 766451-03-0) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Also Known As: 7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine, 9,10-dimethyl-6-oxabicyclo[5.4.0]undeca-8,10,12-trien-2-amine
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 35.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 766451-03-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OCCCC2N |
| InChIKey | JBBXKPIMMMOKIJ-UHFFFAOYSA-N |
Product Overview
7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CAS 766451-03-0), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
Chemical Property Profile of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
Property Insights of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine. With a topological polar surface area (TPSA) of 35.3 Ų, 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has 1 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 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The CAS number of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is 766451-03-0.
What is the molecular formula of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The molecular formula of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is C12H17NO.
What is the molecular weight of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The molecular weight of 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is 191.13 g/mol.
Where can I buy 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
You can request a quote for 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.