(7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid
TL;DR: (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid (CAS 56071-36-4) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide
Also Known As: N-(7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide, 5-18-09-00650 (Beilstein Handbook Reference), 5-Formamido-7-methyl-2,3,4,5-tetrahydro-1-benzoxepine, Formamide, N-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-, (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid
| Molecular Formula | C12H15NO2 |
|---|---|
| Molecular Weight | 205.11 g/mol |
| LogP | 1.95472 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.11028 |
| Heavy Atoms | 15 |
| Complexity | 362.6398 |
Chemical Identifiers
| CAS Number | 56071-36-4 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OCCCC2NC=O |
Product Overview
(7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid (CAS 56071-36-4), with molecular formula C12H15NO2 and molecular weight 205.11 g/mol. IUPAC: N-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)formamide.
Chemical Property Profile of (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid
Property Insights of (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid
The XLogP value of 1.95472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid. With a topological polar surface area (TPSA) of 38.33 Ų, (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid 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-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid?
The CAS number of (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid is 56071-36-4.
What is the molecular formula of (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid?
The molecular formula of (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid is C12H15NO2.
What is the molecular weight of (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid?
The molecular weight of (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid is 205.11 g/mol.
Where can I buy (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid?
You can request a quote for (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for (7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.