A0171/0007699
TL;DR: A0171/0007699 (CAS 299202-52-1) is a chemical compound with molecular formula C22H16Br2N2O2 and molecular weight 497.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dibromo-6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol
Also Known As: A0171/0007699, 2,4-dibromo-6-[(E)-{[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]phenol, (E)-2,4-dibromo-6-(((2-(3,4-dimethylphenyl)benzo[d]oxazol-5-yl)imino)methyl)phenol, (6E)-2,4-dibromo-6-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one, 2,4-dibromo-6-[[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C22H16Br2N2O2 |
|---|---|
| Molecular Weight | 497.96 g/mol |
| LogP | 7.09284 |
| Topological Polar Surface Area | 58.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 497.95786 |
| Heavy Atoms | 28 |
| Complexity | 1228.9144 |
Chemical Identifiers
| CAS Number | 299202-52-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C(=CC(=C4)Br)Br)O)C |
Product Overview
A0171/0007699 (CAS 299202-52-1), with molecular formula C22H16Br2N2O2 and molecular weight 497.96 g/mol. IUPAC: 2,4-dibromo-6-[[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]iminomethyl]phenol.
Chemical Property Profile of A0171/0007699
Property Insights of A0171/0007699
The XLogP value of 7.09284 indicates that A0171/0007699 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.62 Ų, A0171/0007699 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A0171/0007699 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A0171/0007699?
The CAS number of A0171/0007699 is 299202-52-1.
What is the molecular formula of A0171/0007699?
The molecular formula of A0171/0007699 is C22H16Br2N2O2.
What is the molecular weight of A0171/0007699?
The molecular weight of A0171/0007699 is 497.96 g/mol.
Where can I buy A0171/0007699?
You can request a quote for A0171/0007699 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A0171/0007699?
Yes, KEHONG BIO provides custom synthesis services for A0171/0007699 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.