Opera_ID_102
TL;DR: Opera_ID_102 (CAS 487018-30-4) is a chemical compound with molecular formula C24H16F5N3O3 and molecular weight 489.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl N-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]carbamate
Also Known As: (4-Pentafluorophenyloxy-phenyl)-carbamic acid 1,2,3,9-tetrahydro-pyrrolo[2,1-b]quinazolin-3-yl ester, 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl N-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]carbamate, 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl (4-(perfluorophenoxy)phenyl)carbamate, 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl [4-(pentafluorophenoxy)phenyl]carbamate, 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl N-[4-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]carbamate
| Molecular Formula | C24H16F5N3O3 |
|---|---|
| Molecular Weight | 489.11 g/mol |
| LogP | 6.041 |
| Topological Polar Surface Area | 63.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 489.11118 |
| Heavy Atoms | 35 |
| Complexity | 1317.9717 |
Chemical Identifiers
| CAS Number | 487018-30-4 |
|---|---|
| SMILES | C1CN2CC3=CC=CC=C3N=C2C1OC(=O)NC4=CC=C(C=C4)OC5=C(C(=C(C(=C5F)F)F)F)F |
Product Overview
Opera_ID_102 (CAS 487018-30-4), with molecular formula C24H16F5N3O3 and molecular weight 489.11 g/mol. IUPAC: 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl N-[4-(2,3,4,5,6-pentafluorophenoxy)phenyl]carbamate.
Chemical Property Profile of Opera_ID_102
Property Insights of Opera_ID_102
The XLogP value of 6.041 indicates that Opera_ID_102 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Opera_ID_102. Following Lipinski's Rule of Five, Opera_ID_102 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Opera_ID_102?
The CAS number of Opera_ID_102 is 487018-30-4.
What is the molecular formula of Opera_ID_102?
The molecular formula of Opera_ID_102 is C24H16F5N3O3.
What is the molecular weight of Opera_ID_102?
The molecular weight of Opera_ID_102 is 489.11 g/mol.
Where can I buy Opera_ID_102?
You can request a quote for Opera_ID_102 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Opera_ID_102?
Yes, KEHONG BIO provides custom synthesis services for Opera_ID_102 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.