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: ＞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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
110637-40-6 / N-cyclohexylcyclohexanamine;2-(prop-2-enoxycarbonylamino)acetic acid
Alloc-Gly-OH.DCHA | Dicyclohexylamine 2-(((allyloxy)carbonyl)amino)acetate | ALLOC-GLY-OH DCHA
Basic Information
CAS
110637-40-6
Multi CAS
No
Molecular Formula
C18H32N2O4
Molecular Weight
340.500000
Exact Mass
340.236208
SMILES
C=CCOC(=O)NCC(=O)O.C1CCC(CC1)NC2CCCCC2
InChI
InChI=1S/C12H23N.C6H9NO4/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3-11-6(10)7-4-5(8)9/h11-13H,1-10H2;2H,1,3-4H2,(H,7,10)(H,8,9)
InChIKey
VVGNWCIOTXQIKJ-UHFFFAOYSA-N
Synonyms
Alloc-Gly-OH.DCHA
Dicyclohexylamine 2-(((allyloxy)carbonyl)amino)acetate
ALLOC-GLY-OH DCHA
MFCD08272340
N-cyclohexylcyclohexanamine;2-(prop-2-enoxycarbonylamino)acetic acid
Computed Properties
Structural Parameters
Heavy atom count
24
Fraction Csp3
0.78
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
94.07
TPSA
87.66
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
3.22
Consensus LogP
3.1
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.27
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)
-2.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
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