CAS RN: 227626-60-0
2-(1-(((tert-Butoxycarbonyl)amino)methyl)cyclohexyl)acetic acid
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250427 | 1g | In stock | Shanghai, Shenzhen | Inquiry |
| Batchno.20251010 | 250mg | In stock | Shanghai | Inquiry |
| Batchno.20250926 | 250mg / 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
| Batchno.20260511 | 25g | Out of stock | Inquiry | |
| Batchno.20251201 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-110907
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: 1g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 1g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
227626-60-0 / 2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]acetic acid
Basic Information
CAS
227626-60-0
Multi CAS
No
Molecular Formula
C14H25NO4
Molecular Weight
271.350000
Exact Mass
271.178358
SMILES
CC(C)(C)OC(=O)NCC1(CCCCC1)CC(=O)O
InChI
InChI=1S/C14H25NO4/c1-13(2,3)19-12(18)15-10-14(9-11(16)17)7-5-4-6-8-14/h4-10H2,1-3H3,(H,15,18)(H,16,17)
InChIKey
YOOHANJKYCQHED-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
72.01
TPSA
75.63
LogP / Solubility
WLOGP
2.94
MLOGP
2.59
XLogP3
2.7
Consensus LogP
2.74
Log S (ESOL)
-3.11
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.34
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 428854-24-4 2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine
- CAS RN: 428854-24-4
- Product Code: SSC-151183
-
2-(1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)-[1,1′-biphenyl]-4,4′-dicarboxylic acid
- CAS RN: 1283676-82-3
- Product Code: LINT887532
-
2-(1-Bromonaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
- CAS RN: 1642848-97-2
- Product Code: SSC-071704
-
2-(1H-1,2,4-triazol-1-yl)benzene-1,3,5-tricarboxylic acid
- CAS RN: 2111824-48-5
- Product Code: LINH887243
-
-
(2-((Dibutylamino)methyl)phenyl)boronic acid
- CAS RN: 1312921-42-8
- Product Code: LIND905284
![CAS 428854-24-4 2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]pyrimidine-4,5,6-triamine molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/428854-24-4.png)
![CAS 1283676-82-3 2-(1-(tert-butoxycarbonyl)pyrrolidine-2-carboxamido)-[1,1′-biphenyl]-4,4′-dicarboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1283676-82-3.png)
