3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
TL;DR: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile (CAS 86267-86-9) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
Also Known As: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile, 3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carbonitrile, N-Methyllindcarpine, 2H-1,4-Benzoxazine-2-carbonitrile,3,4-dihydro-, 2H,3H,4H-benzo[e]1,4-oxazaperhydroine-2-carbonitrile
| Molecular Formula | C9H8N2O |
|---|---|
| Molecular Weight | 160.06 g/mol |
| LogP | 1.38308 |
| Topological Polar Surface Area | 45.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 |
| Heavy Atoms | 12 |
| Complexity | 329.54556 |
Chemical Identifiers
| CAS Number | 86267-86-9 |
|---|---|
| SMILES | C1C(OC2=CC=CC=C2N1)C#N |
Product Overview
3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile (CAS 86267-86-9), with molecular formula C9H8N2O and molecular weight 160.06 g/mol. IUPAC: 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile.
Chemical Property Profile of 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
Property Insights of 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile
The XLogP value of 1.38308 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile. With a topological polar surface area (TPSA) of 45.05 Ų, 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile has 1 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 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile?
The CAS number of 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile is 86267-86-9.
What is the molecular formula of 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile?
The molecular formula of 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile is C9H8N2O.
What is the molecular weight of 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile?
The molecular weight of 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile is 160.06 g/mol.
Where can I buy 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile?
You can request a quote for 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3,4-dihydro-2H-1,4-benzoxazine-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.