BAS 00255987
TL;DR: BAS 00255987 (CAS 4977-86-0) is a chemical compound with molecular formula C28H19BrN2O4 and molecular weight 526.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate
Also Known As: BAS 00255987, (3-Bromophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate, (3-bromophenyl) 4-[[(3E)-3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]benzoate, (3-bromophenyl) 4-[[3-(6-methyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]iminomethyl]benzoate, 3-Bromophenyl 4-[(E)-{[3-(6-methyl-1,3-benzoxazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]imino}methyl]benzoate
| Molecular Formula | C28H19BrN2O4 |
|---|---|
| Molecular Weight | 526.05 g/mol |
| LogP | 7.24112 |
| Topological Polar Surface Area | 84.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.0528 |
| Heavy Atoms | 35 |
| Complexity | 1572.2667 |
Chemical Identifiers
| CAS Number | 4977-86-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)N=CC4=CC=C(C=C4)C(=O)OC5=CC(=CC=C5)Br)O |
Product Overview
BAS 00255987 (CAS 4977-86-0), with molecular formula C28H19BrN2O4 and molecular weight 526.05 g/mol. IUPAC: (3-bromophenyl) 4-[[4-hydroxy-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]iminomethyl]benzoate.
Chemical Property Profile of BAS 00255987
Property Insights of BAS 00255987
The XLogP value of 7.24112 indicates that BAS 00255987 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.92 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00255987. Following Lipinski's Rule of Five, BAS 00255987 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 BAS 00255987?
The CAS number of BAS 00255987 is 4977-86-0.
What is the molecular formula of BAS 00255987?
The molecular formula of BAS 00255987 is C28H19BrN2O4.
What is the molecular weight of BAS 00255987?
The molecular weight of BAS 00255987 is 526.05 g/mol.
Where can I buy BAS 00255987?
You can request a quote for BAS 00255987 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00255987?
Yes, KEHONG BIO provides custom synthesis services for BAS 00255987 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.