ChemDiv1_026591
TL;DR: ChemDiv1_026591 (CAS 1093684-03-7) is a chemical compound with molecular formula C18H21F2NO6 and molecular weight 385.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: ChemDiv1_026591, DivK1c_004335, CDS1_003295, BAS 05914290, N-(2,4-difluorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxamide
| Molecular Formula | C18H21F2NO6 |
|---|---|
| Molecular Weight | 385.13 g/mol |
| LogP | 2.2998 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.1337 |
| Heavy Atoms | 27 |
| Complexity | 770.2188 |
Chemical Identifiers
| CAS Number | 1093684-03-7 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NC4=C(C=C(C=C4)F)F)C |
Product Overview
ChemDiv1_026591 (CAS 1093684-03-7), with molecular formula C18H21F2NO6 and molecular weight 385.13 g/mol. IUPAC: N-(2,4-difluorophenyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of ChemDiv1_026591
Property Insights of ChemDiv1_026591
The XLogP value of 2.2998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_026591. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_026591. Following Lipinski's Rule of Five, ChemDiv1_026591 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_026591?
The CAS number of ChemDiv1_026591 is 1093684-03-7.
What is the molecular formula of ChemDiv1_026591?
The molecular formula of ChemDiv1_026591 is C18H21F2NO6.
What is the molecular weight of ChemDiv1_026591?
The molecular weight of ChemDiv1_026591 is 385.13 g/mol.
Where can I buy ChemDiv1_026591?
You can request a quote for ChemDiv1_026591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_026591?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_026591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.