BAS 00526173
TL;DR: BAS 00526173 (CAS 314047-07-9) is a chemical compound with molecular formula C22H25BrN2O6 and molecular weight 492.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[[5-bromo-2-(ethoxycarbonylamino)phenyl]-phenylmethyl]-ethoxycarbonylamino]acetate
Also Known As: BAS 00526173, BIM-0005220.P001, methyl 2-[[[5-bromo-2-(ethoxycarbonylamino)phenyl]-phenylmethyl]-ethoxycarbonylamino]acetate, methyl [[{5-bromo-2-[(ethoxycarbonyl)amino]phenyl}(phenyl)methyl](ethoxycarbonyl)amino]acetate, methyl 2-(((5-bromo-2-((ethoxycarbonyl)amino)phenyl)(phenyl)methyl)(ethoxycarbonyl)amino)acetate
| Molecular Formula | C22H25BrN2O6 |
|---|---|
| Molecular Weight | 492.09 g/mol |
| LogP | 4.7384 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.0896 |
| Heavy Atoms | 31 |
| Complexity | 906.1291 |
Chemical Identifiers
| CAS Number | 314047-07-9 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)N(CC(=O)OC)C(=O)OCC |
Product Overview
BAS 00526173 (CAS 314047-07-9), with molecular formula C22H25BrN2O6 and molecular weight 492.09 g/mol. IUPAC: methyl 2-[[[5-bromo-2-(ethoxycarbonylamino)phenyl]-phenylmethyl]-ethoxycarbonylamino]acetate.
Chemical Property Profile of BAS 00526173
Property Insights of BAS 00526173
The XLogP value of 4.7384 indicates that BAS 00526173 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00526173. Following Lipinski's Rule of Five, BAS 00526173 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00526173?
The CAS number of BAS 00526173 is 314047-07-9.
What is the molecular formula of BAS 00526173?
The molecular formula of BAS 00526173 is C22H25BrN2O6.
What is the molecular weight of BAS 00526173?
The molecular weight of BAS 00526173 is 492.09 g/mol.
Where can I buy BAS 00526173?
You can request a quote for BAS 00526173 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00526173?
Yes, KEHONG BIO provides custom synthesis services for BAS 00526173 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.