2i4u
TL;DR: 2i4u (CAS 206362-00-7) is a chemical compound with molecular formula C28H38N2O8S and molecular weight 562.23 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)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate
Also Known As: 2i4u, 2i4v, 3i7e, TMC 126, UIC-PI
| Molecular Formula | C28H38N2O8S |
|---|---|
| Molecular Weight | 562.23 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 562.23486 |
| Heavy Atoms | 39 |
| Complexity | 867.0 |
Chemical Identifiers
| CAS Number | 206362-00-7 |
|---|---|
| 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=CC=C(C=C4)OC |
| InChIKey | BINXAIIXOUQUKC-UIPNDDLNSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2i4u (CAS 206362-00-7), with molecular formula C28H38N2O8S and molecular weight 562.23 g/mol. IUPAC: [(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]carbamate.
Chemical Property Profile of 2i4u
Property Insights of 2i4u
The XLogP value of 3.6 indicates that 2i4u is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2i4u. Following Lipinski's Rule of Five, 2i4u has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2i4u?
The CAS number of 2i4u is 206362-00-7.
What is the molecular formula of 2i4u?
The molecular formula of 2i4u is C28H38N2O8S.
What is the molecular weight of 2i4u?
The molecular weight of 2i4u is 562.23 g/mol.
Where can I buy 2i4u?
You can request a quote for 2i4u directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2i4u?
Yes, KEHONG BIO provides custom synthesis services for 2i4u and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.