BAS 00413071
TL;DR: BAS 00413071 (CAS 331445-16-0) is a chemical compound with molecular formula C24H19BrN2O and molecular weight 430.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-en-1-imine
Also Known As: BAS 00413071, 3-(3-bromophenyl)-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-en-1-imine, N-[3-(3-Bromophenyl)-2-propen-1-ylidene]-3-(5,7-dimethyl-2-benzoxazolyl)benzenamine
| Molecular Formula | C24H19BrN2O |
|---|---|
| Molecular Weight | 430.07 g/mol |
| LogP | 7.28984 |
| Topological Polar Surface Area | 38.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.06808 |
| Heavy Atoms | 28 |
| Complexity | 1204.4373 |
Chemical Identifiers
| CAS Number | 331445-16-0 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)N=CC=CC4=CC(=CC=C4)Br)C |
Product Overview
BAS 00413071 (CAS 331445-16-0), with molecular formula C24H19BrN2O and molecular weight 430.07 g/mol. IUPAC: 3-(3-bromophenyl)-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-en-1-imine.
Chemical Property Profile of BAS 00413071
Property Insights of BAS 00413071
The XLogP value of 7.28984 indicates that BAS 00413071 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.39 Ų, BAS 00413071 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00413071 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00413071?
The CAS number of BAS 00413071 is 331445-16-0.
What is the molecular formula of BAS 00413071?
The molecular formula of BAS 00413071 is C24H19BrN2O.
What is the molecular weight of BAS 00413071?
The molecular weight of BAS 00413071 is 430.07 g/mol.
Where can I buy BAS 00413071?
You can request a quote for BAS 00413071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00413071?
Yes, KEHONG BIO provides custom synthesis services for BAS 00413071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.