4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺
TL;DR: 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 (CAS 102771-26-6) is a chemical compound with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺
4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline
Also Known As: Gyki Hydrochloride, GYKI 52466 hydrochloride, Lopac-G-119, GYKI 52466 dihydrochloride, GYKI 52466 HCl
| Molecular Formula | C17H15N3O2 |
|---|---|
| Molecular Weight | 293.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 69.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.11642 |
| Heavy Atoms | 22 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 102771-26-6 |
|---|---|
| SMILES | CC1=NN=C(C2=CC3=C(C=C2C1)OCO3)C4=CC=C(C=C4)N |
| InChIKey | LFBZZHVSGAHQPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 (CAS 102771-26-6), with molecular formula C17H15N3O2 and molecular weight 293.12 g/mol. IUPAC: 4-(8-methyl-9H-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-5-yl)aniline.
Chemical Property Profile of 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺
Property Insights of 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺. The TPSA of 69.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺. Following Lipinski's Rule of Five, 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 has 1 hydrogen bond donor(s) and 5 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-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺?
The CAS number of 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 is 102771-26-6.
What is the molecular formula of 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺?
The molecular formula of 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 is C17H15N3O2.
What is the molecular weight of 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺?
The molecular weight of 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 is 293.12 g/mol.
Where can I buy 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺?
You can request a quote for 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 4-(8-甲基-9H-1,3-二氧杂环戊并(4,5-H)(2,3)苯并二氮杂䓬-5-基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.