ER 001533
TL;DR: ER 001533 (CAS 142808-46-6) is a chemical compound with molecular formula C29H38N6O7 and molecular weight 582.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid
Also Known As: ER 001533, (E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid, 3-Butenamide, 4-(4-(((cyanoamino)(methylamino)methylene)amino)phenyl)-N-(3-((2-(3,5-dimethoxyphenyl)ethyl)methylamino)propyl)-, ethanedioate (1:1), N-(3-((N'-(2-(3,5-Dimethoxyphenyl)ethyl)-N'-methyl)amino)propyl)-4-(4-(N(3)-methyl-N(2)-cyanoguanidino)phenyl)-3-butenamide oxalate, (E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide; oxalic acid
| Molecular Formula | C29H38N6O7 |
|---|---|
| Molecular Weight | 582.28 g/mol |
| LogP | 2.41188 |
| Topological Polar Surface Area | 185.61 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 582.2802 |
| Heavy Atoms | 42 |
| Complexity | 1221.8595 |
Chemical Identifiers
| CAS Number | 142808-46-6 |
|---|---|
| SMILES | CN=C(NC#N)NC1=CC=C(C=C1)/C=C/CC(=O)NCCCN(C)CCC2=CC(=CC(=C2)OC)OC.C(=O)(C(=O)O)O |
Product Overview
ER 001533 (CAS 142808-46-6), with molecular formula C29H38N6O7 and molecular weight 582.28 g/mol. IUPAC: (E)-4-[4-[(N-cyano-N'-methylcarbamimidoyl)amino]phenyl]-N-[3-[2-(3,5-dimethoxyphenyl)ethyl-methylamino]propyl]but-3-enamide;oxalic acid.
Chemical Property Profile of ER 001533
Property Insights of ER 001533
The XLogP value of 2.41188 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ER 001533. The TPSA of 185.61 Ų indicates high polarity, suggesting ER 001533 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ER 001533 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ER 001533?
The CAS number of ER 001533 is 142808-46-6.
What is the molecular formula of ER 001533?
The molecular formula of ER 001533 is C29H38N6O7.
What is the molecular weight of ER 001533?
The molecular weight of ER 001533 is 582.28 g/mol.
Where can I buy ER 001533?
You can request a quote for ER 001533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ER 001533?
Yes, KEHONG BIO provides custom synthesis services for ER 001533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.