CR 804
TL;DR: CR 804 (CAS 57287-56-6) is a chemical compound with molecular formula C30H43N3O7 and molecular weight 557.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CR 804
N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 804, O-(2-Diethylaminoethyl)-N-benzoyl-L-tyrosyl-di-n-propylamide oxalate, (S)-alpha-(Benzoylamino)-4-(2-(diethylamino)ethoxy)-N,N-dipropylhydrocinnamamide oxalate, Hydrocinnamamide, alpha-(benzoylamino)-4-(2-(diethylamino)ethoxy)-N,N-dipropyl-, oxalate, (S)-, N-[2-[4-(2-DIETHYLAMINOETHOXY)PHENYL]-1-(DIPROPYLCARBAMOYL)ETHYL]BENZAMIDE; OXALIC ACID
| Molecular Formula | C30H43N3O7 |
|---|---|
| Molecular Weight | 557.31 g/mol |
| LogP | 3.55 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 557.3101 |
| Heavy Atoms | 40 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 57287-56-6 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O |
| InChIKey | HCABBFJYJSFVLA-UHFFFAOYSA-N |
Product Overview
CR 804 (CAS 57287-56-6), with molecular formula C30H43N3O7 and molecular weight 557.31 g/mol. IUPAC: N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid.
Chemical Property Profile of CR 804
Property Insights of CR 804
The XLogP value of 3.55 indicates that CR 804 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CR 804. Following Lipinski's Rule of Five, CR 804 has 3 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 CR 804?
The CAS number of CR 804 is 57287-56-6.
What is the molecular formula of CR 804?
The molecular formula of CR 804 is C30H43N3O7.
What is the molecular weight of CR 804?
The molecular weight of CR 804 is 557.31 g/mol.
Where can I buy CR 804?
You can request a quote for CR 804 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CR 804?
Yes, KEHONG BIO provides custom synthesis services for CR 804 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.