CDS1_002056
TL;DR: CDS1_002056 (CAS 450372-93-7) is a chemical compound with molecular formula C31H26ClN3O5 and molecular weight 555.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(Z)-1-(6-chloro-4-oxochromen-3-yl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]-2-methylbenzamide
Also Known As: CDS1_002056, F0913-4224, (Z)-N-(1-(6-chloro-4-oxo-4H-chromen-3-yl)-3-oxo-3-(8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)prop-1-en-2-yl)-2-methylbenzamide, N-[(1Z)-1-(6-chloro-4-oxo-4H-chromen-3-yl)-3-oxo-3-{6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-11-yl}prop-1-en-2-yl]-2-methylbenzamide, N-[(Z)-1-(6-chloro-4-oxochromen-3-yl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]-2-methylbenzamide
| Molecular Formula | C31H26ClN3O5 |
|---|---|
| Molecular Weight | 555.16 g/mol |
| LogP | 4.33332 |
| Topological Polar Surface Area | 101.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 555.1561 |
| Heavy Atoms | 40 |
| Complexity | 1821.9775 |
Chemical Identifiers
| CAS Number | 450372-93-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N/C(=C\C2=COC3=C(C2=O)C=C(C=C3)Cl)/C(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5 |
Product Overview
CDS1_002056 (CAS 450372-93-7), with molecular formula C31H26ClN3O5 and molecular weight 555.16 g/mol. IUPAC: N-[(Z)-1-(6-chloro-4-oxochromen-3-yl)-3-oxo-3-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)prop-1-en-2-yl]-2-methylbenzamide.
Chemical Property Profile of CDS1_002056
Property Insights of CDS1_002056
The XLogP value of 4.33332 indicates that CDS1_002056 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.62 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_002056. Following Lipinski's Rule of Five, CDS1_002056 has 1 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 CDS1_002056?
The CAS number of CDS1_002056 is 450372-93-7.
What is the molecular formula of CDS1_002056?
The molecular formula of CDS1_002056 is C31H26ClN3O5.
What is the molecular weight of CDS1_002056?
The molecular weight of CDS1_002056 is 555.16 g/mol.
Where can I buy CDS1_002056?
You can request a quote for CDS1_002056 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_002056?
Yes, KEHONG BIO provides custom synthesis services for CDS1_002056 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.