CAS RN: 1366067-80-2
3-benzyloxycarbonylaMino-propionic acid dipropylcarbaMoylMethyl ester
- Product code: SSC-045651
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1366067-80-2 / [2-(dipropylamino)-2-oxoethyl] 3-(phenylmethoxycarbonylamino)propanoate
Basic Information
CAS
1366067-80-2
Multi CAS
No
Molecular Formula
C19H28N2O5
Molecular Weight
364.400000
Exact Mass
364.199822
SMILES
CCCN(CCC)C(=O)COC(=O)CCNC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C19H28N2O5/c1-3-12-21(13-4-2)17(22)15-25-18(23)10-11-20-19(24)26-14-16-8-6-5-7-9-16/h5-9H,3-4,10-15H2,1-2H3,(H,20,24)
InChIKey
BWAVOXVXSHHUNR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
1
Molar refractivity
97.37
TPSA
84.94
LogP / Solubility
WLOGP
2.49
MLOGP
2.22
XLogP3
2.6
Consensus LogP
2.44
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.35
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
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
-
5-broMo-4-Methyl-2-(Methyloxy)-3-pyridinaMine
- CAS RN: 1366131-38-5
- Product Code: SSC-045655
-
-
-
-
4-(pyridin-4-yl)-N,N-bis[4-(pyridin-4-yl)phenyl]aniline
- CAS RN: 1366291-62-4
- Product Code: SSC-045664
-
4,6,12,19-Tetraazadocosane-1,3,7-tricarboxylic acid, 22-[3-[[[2-[[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl](carboxymethyl)amino]ethyl](carboxymethyl)amino]methyl]-4-hydroxyphenyl]-5,13,20-trioxo-, (3S,7S)-
- CAS RN: 1366302-52-4
- Product Code: starshine_CAS1366302-52-4
- Purity/Analytical method: >99.0%
![CAS 1366234-02-7 5-Fluoro-6-nitrobenzo[d][1,3]dioxole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1366234-02-7.gif)
.gif)
![CAS 1366291-62-4 4-(pyridin-4-yl)-N,N-bis[4-(pyridin-4-yl)phenyl]aniline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1366291-62-4(2).gif)
![CAS 1366302-52-4 4,6,12,19-Tetraazadocosane-1,3,7-tricarboxylic acid, 22-[3-[[[2-[[[5-(2-carboxyethyl)-2-hydroxyphenyl]methyl](carboxymethyl)amino]ethyl](carboxymethyl)amino]methyl]-4-hydroxyphenyl]-5,13,20-trioxo-, (3S,7S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1366302-52-4.gif)