Cambridge id 5712020
TL;DR: Cambridge id 5712020 (CAS 314052-91-0) is a chemical compound with molecular formula C19H19N3O3 and molecular weight 337.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: BAS 00669164, AB00094385-01, 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile, 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,7,8-pentahydroquinoline-3-carbon itrile
| Molecular Formula | C19H19N3O3 |
|---|---|
| Molecular Weight | 337.14 g/mol |
| LogP | 3.72238 |
| Topological Polar Surface Area | 96.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 337.14264 |
| Heavy Atoms | 25 |
| Complexity | 887.42053 |
Chemical Identifiers
| CAS Number | 314052-91-0 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C#N |
Product Overview
Cambridge id 5712020 (CAS 314052-91-0), with molecular formula C19H19N3O3 and molecular weight 337.14 g/mol. IUPAC: 2,7,7-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of Cambridge id 5712020
Property Insights of Cambridge id 5712020
The XLogP value of 3.72238 indicates that Cambridge id 5712020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.03 Ų falls within the moderate polarity range, balancing permeability and solubility for Cambridge id 5712020. Following Lipinski's Rule of Five, Cambridge id 5712020 has 1 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 Cambridge id 5712020?
The CAS number of Cambridge id 5712020 is 314052-91-0.
What is the molecular formula of Cambridge id 5712020?
The molecular formula of Cambridge id 5712020 is C19H19N3O3.
What is the molecular weight of Cambridge id 5712020?
The molecular weight of Cambridge id 5712020 is 337.14 g/mol.
Where can I buy Cambridge id 5712020?
You can request a quote for Cambridge id 5712020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cambridge id 5712020?
Yes, KEHONG BIO provides custom synthesis services for Cambridge id 5712020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.