C17H16ClN3O5
TL;DR: C17H16ClN3O5 (CAS 1008274-69-8) is a chemical compound with molecular formula C17H16ClN3O5 and molecular weight 377.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(4-chlorophenyl)-4,6-dioxo-1-(3-oxobutyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
Also Known As: methyl 5-(4-chlorophenyl)-4,6-dioxo-1-(3-oxobutyl)-1,3a,4,5,6,6a-hexahydropyrrolo[3,4-c]pyrazole-3-carboxylate, methyl 5-(4-chlorophenyl)-4,6-dioxo-1-(3-oxobutyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate
| Molecular Formula | C17H16ClN3O5 |
|---|---|
| Molecular Weight | 377.08 g/mol |
| LogP | 1.0217 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.07785 |
| Heavy Atoms | 26 |
| Complexity | 820.1922 |
Chemical Identifiers
| CAS Number | 1008274-69-8 |
|---|---|
| SMILES | CC(=O)CCN1C2C(C(=N1)C(=O)OC)C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
Product Overview
C17H16ClN3O5 (CAS 1008274-69-8), with molecular formula C17H16ClN3O5 and molecular weight 377.08 g/mol. IUPAC: methyl 5-(4-chlorophenyl)-4,6-dioxo-1-(3-oxobutyl)-3a,6a-dihydropyrrolo[3,4-c]pyrazole-3-carboxylate.
Chemical Property Profile of C17H16ClN3O5
Property Insights of C17H16ClN3O5
The XLogP value of 1.0217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C17H16ClN3O5. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for C17H16ClN3O5. Following Lipinski's Rule of Five, C17H16ClN3O5 has 0 hydrogen bond donor(s) and 7 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 C17H16ClN3O5?
The CAS number of C17H16ClN3O5 is 1008274-69-8.
What is the molecular formula of C17H16ClN3O5?
The molecular formula of C17H16ClN3O5 is C17H16ClN3O5.
What is the molecular weight of C17H16ClN3O5?
The molecular weight of C17H16ClN3O5 is 377.08 g/mol.
Where can I buy C17H16ClN3O5?
You can request a quote for C17H16ClN3O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C17H16ClN3O5?
Yes, KEHONG BIO provides custom synthesis services for C17H16ClN3O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.