ChemDiv1_024033
TL;DR: ChemDiv1_024033 (CAS 172985-28-3) is a chemical compound with molecular formula C23H19BrN2O4 and molecular weight 466.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-amino-8-(furan-2-yl)-12,12-dimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl]-(4-bromophenyl)methanone
Also Known As: ChemDiv1_024033, Methanone, (1-amino-5-(2-furanyl)-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-, [1-amino-5-(furan-2-yl)-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl](4-bromophenyl)methanone, (1-amino-5-(furan-2-yl)-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-bromophenyl)methanone, 1-amino-5-(2-furyl)-8,8-dimethyl(8,9-dihydro-6H-furano[2,3-b]pyrano[4,3-d]pyri din-2-yl) 4-bromophenyl ketone
| Molecular Formula | C23H19BrN2O4 |
|---|---|
| Molecular Weight | 466.05 g/mol |
| LogP | 5.5148 |
| Topological Polar Surface Area | 91.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.05283 |
| Heavy Atoms | 30 |
| Complexity | 1271.2769 |
Chemical Identifiers
| CAS Number | 172985-28-3 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C(=C(O3)C(=O)C4=CC=C(C=C4)Br)N)C5=CC=CO5)C |
Product Overview
ChemDiv1_024033 (CAS 172985-28-3), with molecular formula C23H19BrN2O4 and molecular weight 466.05 g/mol. IUPAC: [3-amino-8-(furan-2-yl)-12,12-dimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraen-4-yl]-(4-bromophenyl)methanone.
Chemical Property Profile of ChemDiv1_024033
Property Insights of ChemDiv1_024033
The XLogP value of 5.5148 indicates that ChemDiv1_024033 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_024033. Following Lipinski's Rule of Five, ChemDiv1_024033 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_024033?
The CAS number of ChemDiv1_024033 is 172985-28-3.
What is the molecular formula of ChemDiv1_024033?
The molecular formula of ChemDiv1_024033 is C23H19BrN2O4.
What is the molecular weight of ChemDiv1_024033?
The molecular weight of ChemDiv1_024033 is 466.05 g/mol.
Where can I buy ChemDiv1_024033?
You can request a quote for ChemDiv1_024033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_024033?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_024033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.