4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine
TL;DR: 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine (CAS 34375-78-5) is a chemical compound with molecular formula C12H14ClN3O and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-4,5-dihydropyrazolo[5,4-b][1,4]benzoxazepine;hydrochloride
Also Known As: a-29981, 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine, 4,5-Dihydro-1,3-dimethyl-1H-pyrazolo(3,4-b)(1,4)benzoxazepin hydrochloride, 1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine;hydrochloride, 1,3-dimethyl-4,5-dihydropyrazolo[3,4-b][1,4]benzoxazepine,hy
| Molecular Formula | C12H14ClN3O |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 2.86812 |
| Topological Polar Surface Area | 39.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.08253 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 34375-78-5 |
|---|---|
| SMILES | CC1=NN(C2=C1NCC3=CC=CC=C3O2)C.Cl |
| InChIKey | LQIWITKKFTZURO-UHFFFAOYSA-N |
Product Overview
4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine (CAS 34375-78-5), with molecular formula C12H14ClN3O and molecular weight 251.08 g/mol. IUPAC: 1,3-dimethyl-4,5-dihydropyrazolo[5,4-b][1,4]benzoxazepine;hydrochloride.
Chemical Property Profile of 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine
Property Insights of 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine
The XLogP value of 2.86812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine. With a topological polar surface area (TPSA) of 39.1 Ų, 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine 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 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine?
The CAS number of 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine is 34375-78-5.
What is the molecular formula of 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine?
The molecular formula of 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine is C12H14ClN3O.
What is the molecular weight of 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine?
The molecular weight of 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine is 251.08 g/mol.
Where can I buy 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine?
You can request a quote for 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-1,3-dimethyl-1,H-pyrazolo-(3,4-b)(1,4)-benzoxazepine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.