BAS 01054134
TL;DR: BAS 01054134 (CAS 334497-33-5) is a chemical compound with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]phenyl]prop-2-enamide
Also Known As: BAS 01054134, 2-Cyano-3-{3-methoxy-4-[(2-methyl-5-nitro-phenylcarbamoyl)-methoxy]-phenyl}-acrylamide, (Z)-2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]phenyl]prop-2-enamide
| Molecular Formula | C20H18N4O6 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 2.3216 |
| Topological Polar Surface Area | 157.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.12262 |
| Heavy Atoms | 30 |
| Complexity | 1071.4518 |
Chemical Identifiers
| CAS Number | 334497-33-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC2=C(C=C(C=C2)/C=C(/C#N)\C(=O)N)OC |
Product Overview
BAS 01054134 (CAS 334497-33-5), with molecular formula C20H18N4O6 and molecular weight 410.12 g/mol. IUPAC: (Z)-2-cyano-3-[3-methoxy-4-[2-(2-methyl-5-nitroanilino)-2-oxoethoxy]phenyl]prop-2-enamide.
Chemical Property Profile of BAS 01054134
Property Insights of BAS 01054134
The XLogP value of 2.3216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01054134. The TPSA of 157.58 Ų indicates high polarity, suggesting BAS 01054134 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BAS 01054134 has 2 hydrogen bond donor(s) and 7 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 01054134?
The CAS number of BAS 01054134 is 334497-33-5.
What is the molecular formula of BAS 01054134?
The molecular formula of BAS 01054134 is C20H18N4O6.
What is the molecular weight of BAS 01054134?
The molecular weight of BAS 01054134 is 410.12 g/mol.
Where can I buy BAS 01054134?
You can request a quote for BAS 01054134 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01054134?
Yes, KEHONG BIO provides custom synthesis services for BAS 01054134 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.