C17H17N3O4
TL;DR: C17H17N3O4 (CAS 956435-64-6) is a chemical compound with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(2S)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl]propanoic acid
Also Known As: (S)-2-((S)-11b-methyl-1,3-dioxo-5,6-dihydro-1H-imidazo[1',5':1,2]pyrido[3,4-b]indol-2(3H,11H,11bH)-yl)propanoic acid
| Molecular Formula | C17H17N3O4 |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 1.6765 |
| Topological Polar Surface Area | 93.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.12192 |
| Heavy Atoms | 24 |
| Complexity | 902.37274 |
Chemical Identifiers
| CAS Number | 956435-64-6 |
|---|---|
| SMILES | C[C@@H](C(=O)O)N1C(=O)[C@@]2(C3=C(CCN2C1=O)C4=CC=CC=C4N3)C |
Product Overview
C17H17N3O4 (CAS 956435-64-6), with molecular formula C17H17N3O4 and molecular weight 327.12 g/mol. IUPAC: (2S)-2-[(2S)-2-methyl-3,5-dioxo-4,6,16-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),10,12,14-tetraen-4-yl]propanoic acid.
Chemical Property Profile of C17H17N3O4
Property Insights of C17H17N3O4
The XLogP value of 1.6765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H17N3O4. The TPSA of 93.71 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H17N3O4. Following Lipinski's Rule of Five, C17H17N3O4 has 2 hydrogen bond donor(s) and 3 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 C17H17N3O4?
The CAS number of C17H17N3O4 is 956435-64-6.
What is the molecular formula of C17H17N3O4?
The molecular formula of C17H17N3O4 is C17H17N3O4.
What is the molecular weight of C17H17N3O4?
The molecular weight of C17H17N3O4 is 327.12 g/mol.
Where can I buy C17H17N3O4?
You can request a quote for C17H17N3O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H17N3O4?
Yes, KEHONG BIO provides custom synthesis services for C17H17N3O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.