RefChem:429118
TL;DR: RefChem:429118 (CAS 371235-40-4) is a chemical compound with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-ethyl-6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: BAS 03538341, 1-Allyl-N-ethyl-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, AF-399/41320021, 1-allyl-N-ethyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-ALLYL-N-ETHYL-2-IMINO-5-OXO-1,5-DIHYDRO-2H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C17H17N5O2 |
|---|---|
| Molecular Weight | 323.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.1382 |
| Heavy Atoms | 24 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 371235-40-4 |
|---|---|
| SMILES | CCNC(=O)C1=CC2=C(N=C3C=CC=CN3C2=O)N(C1=N)CC=C |
| InChIKey | RDYNRMHUKMIMPZ-UHFFFAOYSA-N |
Product Overview
RefChem:429118 (CAS 371235-40-4), with molecular formula C17H17N5O2 and molecular weight 323.14 g/mol. IUPAC: N-ethyl-6-imino-2-oxo-7-prop-2-enyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of RefChem:429118
Property Insights of RefChem:429118
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:429118. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:429118. Following Lipinski's Rule of Five, RefChem:429118 has 2 hydrogen bond donor(s) and 4 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 RefChem:429118?
The CAS number of RefChem:429118 is 371235-40-4.
What is the molecular formula of RefChem:429118?
The molecular formula of RefChem:429118 is C17H17N5O2.
What is the molecular weight of RefChem:429118?
The molecular weight of RefChem:429118 is 323.14 g/mol.
Where can I buy RefChem:429118?
You can request a quote for RefChem:429118 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:429118?
Yes, KEHONG BIO provides custom synthesis services for RefChem:429118 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.