o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol
TL;DR: o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol (CAS 90380-31-7) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dihydro-1H-1,4-diazepin-7-yl)phenol
Also Known As: o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol, 2-(2,3-Dihydro-1H-1,4-diazepin-5-yl)phenol, Phenol, 2-(2,3-dihydro-1H-1,4-diazepin-5-yl)-, 5-(2-Hydroksyfenylo)-2,3-dihydro-1,4-diazepina, 5-(2-Hydroksyfenylo)-2,3-dihydro-1,4-diazepina [Polish]
| Molecular Formula | C11H12N2O |
|---|---|
| Molecular Weight | 188.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 44.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 |
| Heavy Atoms | 14 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 90380-31-7 |
|---|---|
| SMILES | C1CN=CC=C(N1)C2=CC=CC=C2O |
| InChIKey | VDIPTSPWIGWTGG-UHFFFAOYSA-N |
Product Overview
o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol (CAS 90380-31-7), with molecular formula C11H12N2O and molecular weight 188.09 g/mol. IUPAC: 2-(2,3-dihydro-1H-1,4-diazepin-7-yl)phenol.
Chemical Property Profile of o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol
Property Insights of o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol. With a topological polar surface area (TPSA) of 44.6 Ų, o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol has 2 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 o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol?
The CAS number of o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol is 90380-31-7.
What is the molecular formula of o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol?
The molecular formula of o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol is C11H12N2O.
What is the molecular weight of o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol?
The molecular weight of o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol is 188.09 g/mol.
Where can I buy o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol?
You can request a quote for o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for o-(2,3-Dihydro-1H-1,4-diazepin-7-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.