CAS RN: 26699-00-3
N-Carbobenzoxy-L-isoleucine Dicyclohexylammonium Salt
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.20260426 | 25g / 100g / 500g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-124815
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: 100g
- Available purity: ≥98%
- 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 |
|---|---|---|---|---|
| 100g | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
26699-00-3 / N-cyclohexylcyclohexanamine;(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
Basic Information
CAS
26699-00-3
Multi CAS
No
Molecular Formula
C26H42N2O4
Molecular Weight
446.600000
Exact Mass
446.314458
SMILES
CCC(C)[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C14H19NO4.C12H23N/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2/t10?,12-;/m0./s1
InChIKey
QWMHUFMEYKIYPC-RLVDVTLISA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
127.52
TPSA
87.66
LogP / Solubility
WLOGP
5.65
MLOGP
5
XLogP3
5.65
Consensus LogP
5.43
Log S (ESOL)
-5.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.43
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
