C28H24ClN5O3
TL;DR: C28H24ClN5O3 (CAS 846593-36-0) is a chemical compound with molecular formula C28H24ClN5O3 and molecular weight 513.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N-(2-chlorobenzyl)-2-imino-1-[2-(4-methoxyphenyl)ethyl]-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(2-chlorobenzyl)-2-imino-1-(4-methoxyphenethyl)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C28H24ClN5O3 |
|---|---|
| Molecular Weight | 513.16 g/mol |
| LogP | 3.96337 |
| Topological Polar Surface Area | 101.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 513.15674 |
| Heavy Atoms | 37 |
| Complexity | 1742.1547 |
Chemical Identifiers
| CAS Number | 846593-36-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NCC4=CC=CC=C4Cl)C(=O)N5C=CC=CC5=N3 |
Product Overview
C28H24ClN5O3 (CAS 846593-36-0), with molecular formula C28H24ClN5O3 and molecular weight 513.16 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-6-imino-7-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of C28H24ClN5O3
Property Insights of C28H24ClN5O3
The XLogP value of 3.96337 indicates that C28H24ClN5O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.48 Ų falls within the moderate polarity range, balancing permeability and solubility for C28H24ClN5O3. Following Lipinski's Rule of Five, C28H24ClN5O3 has 2 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 C28H24ClN5O3?
The CAS number of C28H24ClN5O3 is 846593-36-0.
What is the molecular formula of C28H24ClN5O3?
The molecular formula of C28H24ClN5O3 is C28H24ClN5O3.
What is the molecular weight of C28H24ClN5O3?
The molecular weight of C28H24ClN5O3 is 513.16 g/mol.
Where can I buy C28H24ClN5O3?
You can request a quote for C28H24ClN5O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C28H24ClN5O3?
Yes, KEHONG BIO provides custom synthesis services for C28H24ClN5O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.