Crenatine A
TL;DR: Crenatine A (CAS 52801-20-4) is a chemical compound with molecular formula C34H40N4O4 and molecular weight 568.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-4-methylpentanamide
Also Known As: Crenatine A, (2S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-4-methylpentanamide, (2S)-N-((3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo(10.2.2)hexadeca-1(14),10,12,15-tetraen-4-yl)-2-(dimethylamino)-4-methylpentanamide, (2S)-N-[(2Z,6S,9S,10R)-6-benzyl-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-4-methylpentanamide, N-[(3R,4S,7S,10Z)-7-Benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-N~2~,N~2~-dimethyl-L-leucinamide
| Molecular Formula | C34H40N4O4 |
|---|---|
| Molecular Weight | 568.30 g/mol |
| LogP | 4.0958 |
| Topological Polar Surface Area | 99.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 568.30493 |
| Heavy Atoms | 42 |
| Complexity | 1357.3088 |
Chemical Identifiers
| CAS Number | 52801-20-4 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@H]1[C@H](OC2=CC=C(C=C2)/C=C\NC(=O)[C@@H](NC1=O)CC3=CC=CC=C3)C4=CC=CC=C4)N(C)C |
Product Overview
Crenatine A (CAS 52801-20-4), with molecular formula C34H40N4O4 and molecular weight 568.30 g/mol. IUPAC: (2S)-N-[(3R,4S,7S,10Z)-7-benzyl-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-2-(dimethylamino)-4-methylpentanamide.
Chemical Property Profile of Crenatine A
Property Insights of Crenatine A
The XLogP value of 4.0958 indicates that Crenatine A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Crenatine A. Following Lipinski's Rule of Five, Crenatine A has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Crenatine A?
The CAS number of Crenatine A is 52801-20-4.
What is the molecular formula of Crenatine A?
The molecular formula of Crenatine A is C34H40N4O4.
What is the molecular weight of Crenatine A?
The molecular weight of Crenatine A is 568.30 g/mol.
Where can I buy Crenatine A?
You can request a quote for Crenatine A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crenatine A?
Yes, KEHONG BIO provides custom synthesis services for Crenatine A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.