3-亚氨基-3H-呫吨-6-胺
TL;DR: 3-亚氨基-3H-呫吨-6-胺 (CAS 53164-45-7) is a chemical compound with molecular formula C13H10N2O and molecular weight 210.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-亚氨基-3H-呫吨-6-胺
6-iminoxanthen-3-amine
Also Known As: 6-iminoxanthen-3-amine, 3H-Xanthen-6-amine, 3-imino-, 6-amino-3h-xanthene-3-imine, 6-Amino-3-imino-3H-xanthene, (3e)-3-imino-3h-xanthen-6-amine
| Molecular Formula | C13H10N2O |
|---|---|
| Molecular Weight | 210.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.07932 |
| Heavy Atoms | 16 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 53164-45-7 |
|---|---|
| SMILES | C1=CC(=N)C=C2C1=CC3=C(O2)C=C(C=C3)N |
| InChIKey | DJXIADRXORLNJX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-亚氨基-3H-呫吨-6-胺 (CAS 53164-45-7), with molecular formula C13H10N2O and molecular weight 210.08 g/mol. IUPAC: 6-iminoxanthen-3-amine.
Chemical Property Profile of 3-亚氨基-3H-呫吨-6-胺
Property Insights of 3-亚氨基-3H-呫吨-6-胺
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-亚氨基-3H-呫吨-6-胺. With a topological polar surface area (TPSA) of 59.1 Ų, 3-亚氨基-3H-呫吨-6-胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-亚氨基-3H-呫吨-6-胺 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 3-亚氨基-3H-呫吨-6-胺?
The CAS number of 3-亚氨基-3H-呫吨-6-胺 is 53164-45-7.
What is the molecular formula of 3-亚氨基-3H-呫吨-6-胺?
The molecular formula of 3-亚氨基-3H-呫吨-6-胺 is C13H10N2O.
What is the molecular weight of 3-亚氨基-3H-呫吨-6-胺?
The molecular weight of 3-亚氨基-3H-呫吨-6-胺 is 210.08 g/mol.
Where can I buy 3-亚氨基-3H-呫吨-6-胺?
You can request a quote for 3-亚氨基-3H-呫吨-6-胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-亚氨基-3H-呫吨-6-胺?
Yes, KEHONG BIO provides custom synthesis services for 3-亚氨基-3H-呫吨-6-胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.