2qci
TL;DR: 2qci (CAS 333798-27-9) is a chemical compound with molecular formula C28H36N2O9S and molecular weight 576.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Also Known As: 2qci, 2qd6, 2qd7, 2qd8, 2z4o
| Molecular Formula | C28H36N2O9S |
|---|---|
| Molecular Weight | 576.21 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 576.2142 |
| Heavy Atoms | 40 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 333798-27-9 |
|---|---|
| SMILES | CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC5=C(C=C4)OCO5 |
| InChIKey | HNEIRZJZTYYDES-VPZBFSRCSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2qci (CAS 333798-27-9), with molecular formula C28H36N2O9S and molecular weight 576.21 g/mol. IUPAC: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of 2qci
Property Insights of 2qci
The XLogP value of 3.4 indicates that 2qci is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 2qci may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2qci has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2qci?
The CAS number of 2qci is 333798-27-9.
What is the molecular formula of 2qci?
The molecular formula of 2qci is C28H36N2O9S.
What is the molecular weight of 2qci?
The molecular weight of 2qci is 576.21 g/mol.
Where can I buy 2qci?
You can request a quote for 2qci directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2qci?
Yes, KEHONG BIO provides custom synthesis services for 2qci and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.