C29H31N3O304.1/2H2O
TL;DR: C29H31N3O304.1/2H2O (CAS 74101-74-9) is a chemical compound with molecular formula C29H31N3O4 and molecular weight 485.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methyl]acetamide
Also Known As: C29H31N3O304.1/2H2O, C29-H31-N3-O3-04.1/2H2-O, N-[2- ethyl]-N-[[4-methyl-3- phenyl]methyl]acetamide, Acetamide, N-(2-(3,4-dimethoxyphenyl)ethyl)-N-((4-methyl-3-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)methyl)-, hemihydrate, N-(3,4-Dimethoxyphenethyl)-N-(4-methyl-3-(2-methyl-4-oxoquinazolin-3(4H)-yl)benzyl)acetamide
| Molecular Formula | C29H31N3O4 |
|---|---|
| Molecular Weight | 485.23 g/mol |
| LogP | 4.61094 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.23145 |
| Heavy Atoms | 36 |
| Complexity | 1475.6064 |
Chemical Identifiers
| CAS Number | 74101-74-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CN(CCC2=CC(=C(C=C2)OC)OC)C(=O)C)N3C(=NC4=CC=CC=C4C3=O)C |
Product Overview
C29H31N3O304.1/2H2O (CAS 74101-74-9), with molecular formula C29H31N3O4 and molecular weight 485.23 g/mol. IUPAC: N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[[4-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methyl]acetamide.
Chemical Property Profile of C29H31N3O304.1/2H2O
Property Insights of C29H31N3O304.1/2H2O
The XLogP value of 4.61094 indicates that C29H31N3O304.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H31N3O304.1/2H2O. Following Lipinski's Rule of Five, C29H31N3O304.1/2H2O has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C29H31N3O304.1/2H2O?
The CAS number of C29H31N3O304.1/2H2O is 74101-74-9.
What is the molecular formula of C29H31N3O304.1/2H2O?
The molecular formula of C29H31N3O304.1/2H2O is C29H31N3O4.
What is the molecular weight of C29H31N3O304.1/2H2O?
The molecular weight of C29H31N3O304.1/2H2O is 485.23 g/mol.
Where can I buy C29H31N3O304.1/2H2O?
You can request a quote for C29H31N3O304.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H31N3O304.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C29H31N3O304.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.