BAS 00549597
TL;DR: BAS 00549597 (CAS 459784-00-0) is a chemical compound with molecular formula C23H27N3O8 and molecular weight 473.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-(4-methoxyanilino)-4-oxobutanoyl]amino]-3-(4-methoxy-3-nitrophenyl)propanoate
Also Known As: BAS 00549597, ethyl 2-[[4-(4-methoxyanilino)-4-oxobutanoyl]amino]-3-(4-methoxy-3-nitrophenyl)propanoate, ethyl 3-(4-methoxy-3-nitrophenyl)-2-(4-((4-methoxyphenyl)amino)-4-oxobutanamido)propanoate, ethyl N-{4-[(4-methoxyphenyl)amino]-4-oxobutanoyl}-O-methyl-3-nitrotyrosinate, ethyl 3-(4-methoxy-3-nitrophenyl)-2-{3-[N-(4-methoxyphenyl)carbamoyl]propanoyl amino}propanoate
| Molecular Formula | C23H27N3O8 |
|---|---|
| Molecular Weight | 473.18 g/mol |
| LogP | 2.6213 |
| Topological Polar Surface Area | 146.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 473.1798 |
| Heavy Atoms | 34 |
| Complexity | 1023.37537 |
Chemical Identifiers
| CAS Number | 459784-00-0 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC(=C(C=C1)OC)[N+](=O)[O-])NC(=O)CCC(=O)NC2=CC=C(C=C2)OC |
Product Overview
BAS 00549597 (CAS 459784-00-0), with molecular formula C23H27N3O8 and molecular weight 473.18 g/mol. IUPAC: ethyl 2-[[4-(4-methoxyanilino)-4-oxobutanoyl]amino]-3-(4-methoxy-3-nitrophenyl)propanoate.
Chemical Property Profile of BAS 00549597
Property Insights of BAS 00549597
The XLogP value of 2.6213 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00549597. The TPSA of 146.1 Ų indicates high polarity, suggesting BAS 00549597 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 00549597 has 2 hydrogen bond donor(s) and 8 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 00549597?
The CAS number of BAS 00549597 is 459784-00-0.
What is the molecular formula of BAS 00549597?
The molecular formula of BAS 00549597 is C23H27N3O8.
What is the molecular weight of BAS 00549597?
The molecular weight of BAS 00549597 is 473.18 g/mol.
Where can I buy BAS 00549597?
You can request a quote for BAS 00549597 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00549597?
Yes, KEHONG BIO provides custom synthesis services for BAS 00549597 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.