RefChem:352552
TL;DR: RefChem:352552 (CAS 172985-15-8) is a chemical compound with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-4-yl)-phenylmethanone
Also Known As: ChemDiv2_004417, IDI1_003132, BAS 00288814, (1-amino-5,8,8-trimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(phenyl)methanone, Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
| Molecular Formula | C20H20N2O3 |
|---|---|
| Molecular Weight | 336.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.1474 |
| Heavy Atoms | 25 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 172985-15-8 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=CC=C4)N)(C)C |
| InChIKey | QSFZMZFTAMVVPV-UHFFFAOYSA-N |
Product Overview
RefChem:352552 (CAS 172985-15-8), with molecular formula C20H20N2O3 and molecular weight 336.15 g/mol. IUPAC: (3-amino-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-4-yl)-phenylmethanone.
Chemical Property Profile of RefChem:352552
Property Insights of RefChem:352552
The XLogP value of 3.8 indicates that RefChem:352552 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:352552. Following Lipinski's Rule of Five, RefChem:352552 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 RefChem:352552?
The CAS number of RefChem:352552 is 172985-15-8.
What is the molecular formula of RefChem:352552?
The molecular formula of RefChem:352552 is C20H20N2O3.
What is the molecular weight of RefChem:352552?
The molecular weight of RefChem:352552 is 336.15 g/mol.
Where can I buy RefChem:352552?
You can request a quote for RefChem:352552 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:352552?
Yes, KEHONG BIO provides custom synthesis services for RefChem:352552 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.