A3545/0150239
TL;DR: A3545/0150239 (CAS 627889-52-5) is a chemical compound with molecular formula C22H18BrN3O2 and molecular weight 435.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-bromo-2-(3-methoxyphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
Also Known As: A3545/0150239, 9-bromo-2-(3-methoxyphenyl)-5-pyridin-3-yl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 3-[9-BROMO-5-(3-PYRIDYL)-1,10B-DIHYDROPYRAZOLO[1,5-C][1,3]BENZOXAZIN-2-YL]PHENYL METHYL ETHER, 9-bromo-2-(3-methoxyphenyl)-5-(pyridin-3-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine, 9-bromo-2-(3-methoxyphenyl)-5-(pyridin-3-yl)-5,10b-dihydro-1H-benzo[e]pyrazolo[1,5-c][1,3]oxazine
| Molecular Formula | C22H18BrN3O2 |
|---|---|
| Molecular Weight | 435.06 g/mol |
| LogP | 5.095 |
| Topological Polar Surface Area | 46.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 435.05823 |
| Heavy Atoms | 28 |
| Complexity | 1054.6573 |
Chemical Identifiers
| CAS Number | 627889-52-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NN3C(C2)C4=C(C=CC(=C4)Br)OC3C5=CN=CC=C5 |
Product Overview
A3545/0150239 (CAS 627889-52-5), with molecular formula C22H18BrN3O2 and molecular weight 435.06 g/mol. IUPAC: 9-bromo-2-(3-methoxyphenyl)-5-pyridin-3-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine.
Chemical Property Profile of A3545/0150239
Property Insights of A3545/0150239
The XLogP value of 5.095 indicates that A3545/0150239 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.95 Ų, A3545/0150239 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A3545/0150239 has 0 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 A3545/0150239?
The CAS number of A3545/0150239 is 627889-52-5.
What is the molecular formula of A3545/0150239?
The molecular formula of A3545/0150239 is C22H18BrN3O2.
What is the molecular weight of A3545/0150239?
The molecular weight of A3545/0150239 is 435.06 g/mol.
Where can I buy A3545/0150239?
You can request a quote for A3545/0150239 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3545/0150239?
Yes, KEHONG BIO provides custom synthesis services for A3545/0150239 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.