BAS 01024459
TL;DR: BAS 01024459 (CAS 471259-47-9) is a chemical compound with molecular formula C29H31N3O6 and molecular weight 517.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylbutanoyl]amino]benzoate
Also Known As: BAS 01024459, ETHYL 4-{[2-({2-[(4-METHOXYBENZOYL)AMINO]BENZOYL}AMINO)-3-METHYLBUTANOYL]AMINO}BENZOATE, ethyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylbutanoyl]amino]benzoate, Benzoic acid, 4-[[(2S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methyl-1-oxobutyl]amino]-, ethyl ester (9CI)
| Molecular Formula | C29H31N3O6 |
|---|---|
| Molecular Weight | 517.22 g/mol |
| LogP | 4.5173 |
| Topological Polar Surface Area | 122.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.2213 |
| Heavy Atoms | 38 |
| Complexity | 1286.4254 |
Chemical Identifiers
| CAS Number | 471259-47-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)OC |
Product Overview
BAS 01024459 (CAS 471259-47-9), with molecular formula C29H31N3O6 and molecular weight 517.22 g/mol. IUPAC: ethyl 4-[[2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylbutanoyl]amino]benzoate.
Chemical Property Profile of BAS 01024459
Property Insights of BAS 01024459
The XLogP value of 4.5173 indicates that BAS 01024459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01024459. Following Lipinski's Rule of Five, BAS 01024459 has 3 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 01024459?
The CAS number of BAS 01024459 is 471259-47-9.
What is the molecular formula of BAS 01024459?
The molecular formula of BAS 01024459 is C29H31N3O6.
What is the molecular weight of BAS 01024459?
The molecular weight of BAS 01024459 is 517.22 g/mol.
Where can I buy BAS 01024459?
You can request a quote for BAS 01024459 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01024459?
Yes, KEHONG BIO provides custom synthesis services for BAS 01024459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.