![CAS 1629013-22-4 1,2-Ethanediamine, N1-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N1,N2-dimethyl- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1629013-22-4.gif)
CAS RN: 1629013-22-4
1,2-Ethanediamine, N1-[[3-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N1,N2-dimethyl-
- Product code: SSC-070420
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 0.01g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.01g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1629013-22-4 / N'-[[5-[4,4-bis(ethoxymethyl)cyclohexyl]-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
Basic Information
CAS
1629013-22-4
Multi CAS
No
Molecular Formula
C20H38N4O2
Molecular Weight
366.500000
Exact Mass
366.299476
SMILES
CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC
InChI
InChI=1S/C20H38N4O2/c1-5-25-15-20(16-26-6-2)9-7-17(8-10-20)19-18(13-22-23-19)14-24(4)12-11-21-3/h13,17,21H,5-12,14-16H2,1-4H3,(H,22,23)
InChIKey
SPEGERVLTUWZPA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
5
Fraction Csp3
0.85
Rotatable bonds
12
H-bond acceptors
5
H-bond donors
2
Molar refractivity
105.48
TPSA
62.41
LogP / Solubility
WLOGP
2.78
MLOGP
2.46
XLogP3
1.5
Consensus LogP
2.25
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.79
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
3-Thiophenecarboxylic acid, 5-bromo-2-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, ethyl ester
- CAS RN: 1629013-79-1
- Product Code: SSC-070421
-
4-(benzyloxy)-1H-pyrazolo[4,3-c]pyridin-3-aMine
- CAS RN: 1629037-78-0
- Product Code: starshine_CAS1629037-78-0
- Purity/Analytical method: >99.0%
-
-
(R)-2-methyl-5-oxopyrrolidine-2-carboxylic acid
- CAS RN: 1629052-62-5
- Product Code: SSC-070427
-
-
1H-Pyrrole-2,5-dione, 1-[3-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-3-oxopropyl]-
- CAS RN: 1629057-08-4
- Product Code: SSC-070430
![CAS 1629037-78-0 4-(benzyloxy)-1H-pyrazolo[4,3-c]pyridin-3-aMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB62714329.gif)
![CAS 1629057-08-4 1H-Pyrrole-2,5-dione, 1-[3-(11,12-didehydrodibenz[b,f]azocin-5(6H)-yl)-3-oxopropyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1629057-08-4.gif)