CR 829
TL;DR: CR 829 (CAS 57227-20-0) is a chemical compound with molecular formula C32H47N3O7 and molecular weight 585.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CR 829
N-[3-[4-[4-(diethylamino)butoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid
Also Known As: CR 829, O-(4-Diethylaminobutyl)-N-benzoyl-DL-tyrosyl-di-n-propylamide oxalate, (+-)-alpha-(Benzoylamino)-4-(4-(diethylamino)butoxy)-N,N-dipropylhydrocinnamamide oxalate, Hydrocinnamamide, alpha-(benzoylamino)-4-(4-(diethylamino)butoxy)-N,N-dipropyl-, oxalate, (+-)-, N-[3-[4-[4-(diethylamino)butoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide,oxalic acid
| Molecular Formula | C32H47N3O7 |
|---|---|
| Molecular Weight | 585.34 g/mol |
| LogP | 4.33 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 18 |
| Exact Mass | 585.34143 |
| Heavy Atoms | 42 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 57227-20-0 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCCCN(CC)CC)NC(=O)C2=CC=CC=C2.C(=O)(C(=O)O)O |
| InChIKey | JBCCDBSJKFXMQR-UHFFFAOYSA-N |
Product Overview
CR 829 (CAS 57227-20-0), with molecular formula C32H47N3O7 and molecular weight 585.34 g/mol. IUPAC: N-[3-[4-[4-(diethylamino)butoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;oxalic acid.
Chemical Property Profile of CR 829
Property Insights of CR 829
The XLogP value of 4.33 indicates that CR 829 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 829. Following Lipinski's Rule of Five, CR 829 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 829?
The CAS number of CR 829 is 57227-20-0.
What is the molecular formula of CR 829?
The molecular formula of CR 829 is C32H47N3O7.
What is the molecular weight of CR 829?
The molecular weight of CR 829 is 585.34 g/mol.
Where can I buy CR 829?
You can request a quote for CR 829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CR 829?
Yes, KEHONG BIO provides custom synthesis services for CR 829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.