C29H30N4O5
TL;DR: C29H30N4O5 (CAS 872097-07-9) is a chemical compound with molecular formula C29H30N4O5 and molecular weight 514.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-(3-ethoxypropyl)-11-methyl-2-oxo-6-[(E)-3-phenylprop-2-enoyl]imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: (Z)-ethyl 2-(cinnamoylimino)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-1-(3-ethoxypropyl)-10-methyl-5-oxo-2-{[(2E)-3-phenylprop-2-enoyl]imino}-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C29H30N4O5 |
|---|---|
| Molecular Weight | 514.22 g/mol |
| LogP | 3.70162 |
| Topological Polar Surface Area | 104.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 514.2216 |
| Heavy Atoms | 38 |
| Complexity | 1634.6617 |
Chemical Identifiers
| CAS Number | 872097-07-9 |
|---|---|
| SMILES | CCOCCCN1C2=C(C=C(C1=NC(=O)/C=C/C3=CC=CC=C3)C(=O)OCC)C(=O)N4C=CC=C(C4=N2)C |
Product Overview
C29H30N4O5 (CAS 872097-07-9), with molecular formula C29H30N4O5 and molecular weight 514.22 g/mol. IUPAC: ethyl 7-(3-ethoxypropyl)-11-methyl-2-oxo-6-[(E)-3-phenylprop-2-enoyl]imino-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of C29H30N4O5
Property Insights of C29H30N4O5
The XLogP value of 3.70162 indicates that C29H30N4O5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.26 Ų falls within the moderate polarity range, balancing permeability and solubility for C29H30N4O5. Following Lipinski's Rule of Five, C29H30N4O5 has 0 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 C29H30N4O5?
The CAS number of C29H30N4O5 is 872097-07-9.
What is the molecular formula of C29H30N4O5?
The molecular formula of C29H30N4O5 is C29H30N4O5.
What is the molecular weight of C29H30N4O5?
The molecular weight of C29H30N4O5 is 514.22 g/mol.
Where can I buy C29H30N4O5?
You can request a quote for C29H30N4O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C29H30N4O5?
Yes, KEHONG BIO provides custom synthesis services for C29H30N4O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.