CAS RN: 162148-45-0
1,4,7,10-tetraaza-cyclododecane-1,7-dicarboxylic acid dibenzyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260605 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-069686
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 |
162148-45-0 / dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate
Basic Information
CAS
162148-45-0
Multi CAS
No
Molecular Formula
C24H32N4O4
Molecular Weight
440.500000
Exact Mass
440.242356
SMILES
C1CN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C24H32N4O4/c29-23(31-19-21-7-3-1-4-8-21)27-15-11-25-13-17-28(18-14-26-12-16-27)24(30)32-20-22-9-5-2-6-10-22/h1-10,25-26H,11-20H2
InChIKey
XLXMYMNBHSMTEB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
12
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
2
Molar refractivity
122.14
TPSA
83.14
LogP / Solubility
WLOGP
2.46
MLOGP
2.19
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.95
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane
- CAS RN: 162148-48-3
- Product Code: SSC-069687
-
5,5μ-Bis(3-dodecyl-2-thienyl)-2,2μ-bithiophene
- CAS RN: 162151-09-9
- Product Code: SSC-069696
-
-
[(4S)-4,5-dihydro-4-(tert-butyl)-2-oxazolyl]-Ferrocene
- CAS RN: 162157-02-0
- Product Code: starshine_CAS162157-02-0
- Purity/Analytical method: >99.0%
-
[(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-Ferrocene
- CAS RN: 162157-04-2
- Product Code: SSC-069704
-
[(4S)-4,5-dihydro-4-(phenylMethyl)-2-oxazolyl]-Ferrocene
- CAS RN: 162157-05-3
- Product Code: SSC-069705
![CAS 162157-02-0 [(4S)-4,5-dihydro-4-(tert-butyl)-2-oxazolyl]-Ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162157-02-0.gif)
![CAS 162157-04-2 [(4S)-4,5-dihydro-4-phenyl-2-oxazolyl]-Ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162157-04-2.gif)
![CAS 162157-05-3 [(4S)-4,5-dihydro-4-(phenylMethyl)-2-oxazolyl]-Ferrocene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/162157-05-3.gif)