RefChem:352544
TL;DR: RefChem:352544 (CAS 172985-25-0) is a chemical compound with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-amino-8-butyl-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: Methanone, (1-amino-5-butyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-, (1-amino-5-butyl-8,8-dimethyl-8,9-dihydro-6H-furo[2,3-b]pyrano[4,3-d]pyridin-2-yl)(4-bromophenyl)methanone, 1-amino-5-butyl-8,8-dimethyl(8,9-dihydro-6H-furano[2,3-b]pyrano[4,3-d]pyridin- 2-yl) 4-bromophenyl ketone, RefChem:352544
| Molecular Formula | C23H25BrN2O3 |
|---|---|
| Molecular Weight | 456.10 g/mol |
| LogP | 5.5974 |
| Topological Polar Surface Area | 78.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.10486 |
| Heavy Atoms | 29 |
| Complexity | 1083.9363 |
Chemical Identifiers
| CAS Number | 172985-25-0 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1COC(C3)(C)C)C(=C(O2)C(=O)C4=CC=C(C=C4)Br)N |
Product Overview
RefChem:352544 (CAS 172985-25-0), with molecular formula C23H25BrN2O3 and molecular weight 456.10 g/mol. IUPAC: (3-amino-8-butyl-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 RefChem:352544
Property Insights of RefChem:352544
The XLogP value of 5.5974 indicates that RefChem:352544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.35 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:352544. Following Lipinski's Rule of Five, RefChem:352544 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:352544?
The CAS number of RefChem:352544 is 172985-25-0.
What is the molecular formula of RefChem:352544?
The molecular formula of RefChem:352544 is C23H25BrN2O3.
What is the molecular weight of RefChem:352544?
The molecular weight of RefChem:352544 is 456.10 g/mol.
Where can I buy RefChem:352544?
You can request a quote for RefChem:352544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:352544?
Yes, KEHONG BIO provides custom synthesis services for RefChem:352544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.