CAS RN: 15077-13-1
Formic Acid – Triethylamine (5:2) Azeotrope
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250502 | 5ml / 25ml / 100ml / 500ml | Confirm by inquiry | Shanghai, Shandong, Guangdong | Inquiry |
- Product code: ICTF1202
- Purity/Analytical Methods: >98.0%(T)
15077-13-1 / bis(N,N-diethylethanamine);formic acid
Basic Information
CAS
15077-13-1
Multi CAS
No
Molecular Formula
C17H40N2O10
Molecular Weight
432.500000
Exact Mass
432.268295
SMILES
CCN(CC)CC.CCN(CC)CC.C(=O)O.C(=O)O.C(=O)O.C(=O)O.C(=O)O
InChI
InChI=1S/2C6H15N.5CH2O2/c2*1-4-7(5-2)6-3;5*2-1-3/h2*4-6H2,1-3H3;5*1H,(H,2,3)
InChIKey
NLOIHFJXBNFDSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Fraction Csp3
0.71
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
5
Molar refractivity
110.39
TPSA
192.98
LogP / Solubility
WLOGP
1.2
MLOGP
1.08
XLogP3
1.2
Consensus LogP
1.16
Log S (ESOL)
-2.88
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Customers Also Viewed
-
Hydrazine Monohydrate
- CAS RN: 7803-57-8
- Product Code: ICTH0172
- Purity/Analytical method: >98.0%(T)
-
N’-Isopropylidene-2-nitrobenzenesulfonohydrazide
- CAS RN: 6655-27-2
- Product Code: SSC-176249
-
Di-tert-butyl 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
- CAS RN: 55536-71-5
- Product Code: SSC-163465
-
Diethyl 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate
- CAS RN: 1149-23-1
- Product Code: SSC-014611
-
(S)-4-[1-hydroxy-2-(methylamino)ethyl]pyrocatechol
- CAS RN: 150-05-0
- Product Code: SSC-059947
-
![CAS 150-05-0 (S)-4-[1-hydroxy-2-(methylamino)ethyl]pyrocatechol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/150-05-0.gif)
