2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro
TL;DR: 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro (CAS 138355-93-8) is a chemical compound with molecular formula C29H30FNO7 and molecular weight 523.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,4S,9R,9aR)-4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one
Also Known As: 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro, (3aS-(3aalpha,4beta,9alpha,9abeta))-4-((4-Fluorophenyl)amino)-3a,4,9,9a-tetrahydro-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)naphtho(2,3-c)furan-1(3H)-one, (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one, (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f]isobenzofuran-1-one, (3aS)-3abeta,4,9,9aalpha-Tetrahydro-6,7-dimethoxy-4alpha-(4-fluorophenylamino)-9beta-(3,4,5-trimethoxyphenyl)naphtho[2,3-c]furan-1(3H)-one
| Molecular Formula | C29H30FNO7 |
|---|---|
| Molecular Weight | 523.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 84.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 523.2006 |
| Heavy Atoms | 38 |
| Complexity | 781.0 |
Chemical Identifiers
| CAS Number | 138355-93-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)F |
| InChIKey | HZUKZDZKIJGDAH-ULBKPHCJSA-N |
Product Overview
2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro (CAS 138355-93-8), with molecular formula C29H30FNO7 and molecular weight 523.20 g/mol. IUPAC: (3aS,4S,9R,9aR)-4-(4-fluoroanilino)-6,7-dimethoxy-9-(3,4,5-trimethoxyphenyl)-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro
Property Insights of 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro
The XLogP value of 4.6 indicates that 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro. Following Lipinski's Rule of Five, 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro has 1 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 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro?
The CAS number of 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro is 138355-93-8.
What is the molecular formula of 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro?
The molecular formula of 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro is C29H30FNO7.
What is the molecular weight of 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro?
The molecular weight of 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro is 523.20 g/mol.
Where can I buy 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro?
You can request a quote for 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanol,2-(difluoromethyl)-1,1,1,3,3,3-hexafluoro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.