BAS 00462515
TL;DR: BAS 00462515 (CAS 313372-96-2) is a chemical compound with molecular formula C26H27BrN2O6 and molecular weight 542.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[5-bromo-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate
Also Known As: BAS 00462515, AH-034/08461041, methyl 2-[[[5-bromo-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate, methyl {[{5-bromo-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl}(phenyl)methyl]amino}acetate, methyl 2-(((5-bromo-2-(3,4,5-trimethoxybenzamido)phenyl)(phenyl)methyl)amino)acetate
| Molecular Formula | C26H27BrN2O6 |
|---|---|
| Molecular Weight | 542.11 g/mol |
| LogP | 4.5792 |
| Topological Polar Surface Area | 95.12 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 542.1052 |
| Heavy Atoms | 35 |
| Complexity | 1160.7096 |
Chemical Identifiers
| CAS Number | 313372-96-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C(C=C(C=C2)Br)C(C3=CC=CC=C3)NCC(=O)OC |
Product Overview
BAS 00462515 (CAS 313372-96-2), with molecular formula C26H27BrN2O6 and molecular weight 542.11 g/mol. IUPAC: methyl 2-[[[5-bromo-2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]-phenylmethyl]amino]acetate.
Chemical Property Profile of BAS 00462515
Property Insights of BAS 00462515
The XLogP value of 4.5792 indicates that BAS 00462515 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.12 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00462515. Following Lipinski's Rule of Five, BAS 00462515 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00462515?
The CAS number of BAS 00462515 is 313372-96-2.
What is the molecular formula of BAS 00462515?
The molecular formula of BAS 00462515 is C26H27BrN2O6.
What is the molecular weight of BAS 00462515?
The molecular weight of BAS 00462515 is 542.11 g/mol.
Where can I buy BAS 00462515?
You can request a quote for BAS 00462515 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00462515?
Yes, KEHONG BIO provides custom synthesis services for BAS 00462515 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.