C30H28ClN5O4
TL;DR: C30H28ClN5O4 (CAS 713088-77-8) is a chemical compound with molecular formula C30H28ClN5O4 and molecular weight 557.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-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)-1-(3,4-dimethoxyphenethyl)-2-imino-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N-(2-chlorobenzyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, C30H28ClN5O4
| Molecular Formula | C30H28ClN5O4 |
|---|---|
| Molecular Weight | 557.18 g/mol |
| LogP | 4.28039 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 557.183 |
| Heavy Atoms | 40 |
| Complexity | 1879.2216 |
Chemical Identifiers
| CAS Number | 713088-77-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCC4=CC(=C(C=C4)OC)OC)C(=O)NCC5=CC=CC=C5Cl |
Product Overview
C30H28ClN5O4 (CAS 713088-77-8), with molecular formula C30H28ClN5O4 and molecular weight 557.18 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-11-methyl-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 C30H28ClN5O4
Property Insights of C30H28ClN5O4
The XLogP value of 4.28039 indicates that C30H28ClN5O4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for C30H28ClN5O4. Following Lipinski's Rule of Five, C30H28ClN5O4 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C30H28ClN5O4?
The CAS number of C30H28ClN5O4 is 713088-77-8.
What is the molecular formula of C30H28ClN5O4?
The molecular formula of C30H28ClN5O4 is C30H28ClN5O4.
What is the molecular weight of C30H28ClN5O4?
The molecular weight of C30H28ClN5O4 is 557.18 g/mol.
Where can I buy C30H28ClN5O4?
You can request a quote for C30H28ClN5O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C30H28ClN5O4?
Yes, KEHONG BIO provides custom synthesis services for C30H28ClN5O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.