![CAS 55799-81-0 {3-Ethyl-5-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrolato-N1,N5}difluoroboron 99% (HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/55799-81-0.gif)
CAS RN: 55799-81-0
{3-Ethyl-5-[(4-ethyl-3,5-dimethyl-2H-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrolato-N1,N5}difluoroboron 99% (HPLC)
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250427 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20250114 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260129 | 1g | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20260325 | 250mg | In stock | Shenzhen, Tianjin, Wuhan, Chengdu | Inquiry | |
| Batchno.20251128 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS55799-81-0
- Purity/Analytical Methods: >99.0%
55799-81-0 / [4-ethyl-2-[(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-3,5-dimethylpyrrol-1-yl]-difluoroborane
Basic Information
CAS
55799-81-0
Multi CAS
Yes
Molecular Formula
BC17F2H23N2
Molecular Weight
304.200000
Exact Mass
304.192235
InChI
InChI=1S/C17H23BF2N2/c1-7-14-10(3)16-9-17-11(4)15(8-2)13(6)22(17)18(19,20)21(16)12(14)5/h9H,7-8H2,1-6H3
InChIKey
XLTFUVAAGPDWHA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
5
Fraction Csp3
0.47
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
90.73
TPSA
17.29
LogP / Solubility
WLOGP
4.98
MLOGP
4.4
XLogP3
4.98
Consensus LogP
4.79
Log S (ESOL)
-4.77
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.25
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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