RefChem:322280
TL;DR: RefChem:322280 (CAS 87444-04-0) is a chemical compound with molecular formula C29H23BrClN3O4 and molecular weight 591.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl]-2-hydroxybenzamide
Also Known As: Benzamide, N-(3-(((4-bromophenyl)amino)methyl)-3-chloro-2-oxo-4-(4-phenoxyphenyl)-1-azetidinyl)-2-hydroxy-, N-[3-[(4-BROMOANILINO)METHYL]-3-CHLORO-2-OXO-4-[4-(PHENOXY)PHENYL]AZETIDIN-1-YL]-2-HYDROXYBENZAMIDE, BENZAMIDE, N-(3-(((4-BROMOPHENYL)AMINO)METHYL)-3-CHLORO-2-OXO-4-(4-PHENOXYPHENYL, N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl]-2-hydroxybenzamide, N-{3-[(4-Bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl}-2-hydroxybenzene-1-carboximidic acid
| Molecular Formula | C29H23BrClN3O4 |
|---|---|
| Molecular Weight | 591.06 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 591.056 |
| Heavy Atoms | 38 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 87444-04-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)C3C(C(=O)N3NC(=O)C4=CC=CC=C4O)(CNC5=CC=C(C=C5)Br)Cl |
| InChIKey | WMMKBGXWAANGDG-UHFFFAOYSA-N |
Product Overview
RefChem:322280 (CAS 87444-04-0), with molecular formula C29H23BrClN3O4 and molecular weight 591.06 g/mol. IUPAC: N-[3-[(4-bromoanilino)methyl]-3-chloro-2-oxo-4-(4-phenoxyphenyl)azetidin-1-yl]-2-hydroxybenzamide.
Chemical Property Profile of RefChem:322280
Property Insights of RefChem:322280
The XLogP value of 6.8 indicates that RefChem:322280 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:322280. Following Lipinski's Rule of Five, RefChem:322280 has 3 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:322280?
The CAS number of RefChem:322280 is 87444-04-0.
What is the molecular formula of RefChem:322280?
The molecular formula of RefChem:322280 is C29H23BrClN3O4.
What is the molecular weight of RefChem:322280?
The molecular weight of RefChem:322280 is 591.06 g/mol.
Where can I buy RefChem:322280?
You can request a quote for RefChem:322280 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:322280?
Yes, KEHONG BIO provides custom synthesis services for RefChem:322280 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.