1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride
TL;DR: 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride (CAS 30558-92-0) is a chemical compound with molecular formula C16H17ClN2O and molecular weight 288.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2,3-dihydro-1,4-benzoxazepin-5-amine;hydrochloride
Also Known As: 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride, 2,3-Dihydro-5-(benzylamino)-1,4-benzoxazepine monohydrochloride, N-benzyl-2,3-dihydro-1,4-benzoxazepin-5-amine hydrochloride, N-Benzyl-2,3-dihydro-1,4-benzoxazepin-5-amine--hydrogen chloride (1/1), RefChem:220127
| Molecular Formula | C16H17ClN2O |
|---|---|
| Molecular Weight | 288.10 g/mol |
| LogP | 3.0372 |
| Topological Polar Surface Area | 33.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.10294 |
| Heavy Atoms | 20 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 30558-92-0 |
|---|---|
| SMILES | C1COC2=CC=CC=C2C(=N1)NCC3=CC=CC=C3.Cl |
| InChIKey | QLSIVKXIXKQANZ-UHFFFAOYSA-N |
Product Overview
1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride (CAS 30558-92-0), with molecular formula C16H17ClN2O and molecular weight 288.10 g/mol. IUPAC: N-benzyl-2,3-dihydro-1,4-benzoxazepin-5-amine;hydrochloride.
Chemical Property Profile of 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride
Property Insights of 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride
The XLogP value of 3.0372 indicates that 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.6 Ų, 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride has 2 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 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride?
The CAS number of 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride is 30558-92-0.
What is the molecular formula of 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride?
The molecular formula of 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride is C16H17ClN2O.
What is the molecular weight of 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride?
The molecular weight of 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride is 288.10 g/mol.
Where can I buy 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride?
You can request a quote for 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzoxazepine, 2,3-dihydro-5-(benzylamino)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.