BAS 12945994
TL;DR: BAS 12945994 (CAS 1093407-91-0) is a chemical compound with molecular formula C19H22F3NO6 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,11,11-tetramethyl-N-[2-(trifluoromethyl)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide
Also Known As: BAS 12945994, F3114-0033, AT-057/43469456, 4,4,11,11-tetramethyl-N-[2-(trifluoromethyl)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecane-8-carboxamide, 2,2,7,7-tetramethyl-N-(2-(trifluoromethyl)phenyl)tetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran-5-carboxamide
| Molecular Formula | C19H22F3NO6 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 3.0404 |
| Topological Polar Surface Area | 75.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 417.13992 |
| Heavy Atoms | 29 |
| Complexity | 811.3794 |
Chemical Identifiers
| CAS Number | 1093407-91-0 |
|---|---|
| SMILES | CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)NC4=CC=CC=C4C(F)(F)F)C |
Product Overview
BAS 12945994 (CAS 1093407-91-0), with molecular formula C19H22F3NO6 and molecular weight 417.14 g/mol. IUPAC: 4,4,11,11-tetramethyl-N-[2-(trifluoromethyl)phenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane-8-carboxamide.
Chemical Property Profile of BAS 12945994
Property Insights of BAS 12945994
The XLogP value of 3.0404 indicates that BAS 12945994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12945994. Following Lipinski's Rule of Five, BAS 12945994 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 BAS 12945994?
The CAS number of BAS 12945994 is 1093407-91-0.
What is the molecular formula of BAS 12945994?
The molecular formula of BAS 12945994 is C19H22F3NO6.
What is the molecular weight of BAS 12945994?
The molecular weight of BAS 12945994 is 417.14 g/mol.
Where can I buy BAS 12945994?
You can request a quote for BAS 12945994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12945994?
Yes, KEHONG BIO provides custom synthesis services for BAS 12945994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.