CAS RN: 112259-66-2
L-Aspartic acid 4-cyclohexyl 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.20250831 | 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS112259-66-2
- Purity/Analytical Methods: >99.0%
112259-66-2 / (2S)-2-amino-4-cyclohexyloxy-4-oxobutanoic acid
H-Asp(OcHex)-OH hydrochloride salt | SCHEMBL25197311 | L-Aspartic acid b-cyclohexyl ester
Basic Information
CAS
112259-66-2
Multi CAS
Yes
Molecular Formula
C10H17NO4
Molecular Weight
215.250000
Exact Mass
215.115758
SMILES
C1CCC(CC1)OC(=O)C[C@@H](C(=O)O)N
InChI
InChI=1S/C10H17NO4/c11-8(10(13)14)6-9(12)15-7-4-2-1-3-5-7/h7-8H,1-6,11H2,(H,13,14)/t8-/m0/s1
InChIKey
IJAPBBOAGRLKMH-QMMMGPOBSA-N
Synonyms
H-Asp(OcHex)-OH hydrochloride salt
SCHEMBL25197311
L-Aspartic acid b-cyclohexyl ester
L-Aspartic acid beta-cyclohexyl ester
AKOS015963127
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.8
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
2
Molar refractivity
53.19
TPSA
89.62
LogP / Solubility
WLOGP
0.66
MLOGP
0.59
XLogP3
-1.7
Consensus LogP
-0.15
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.09
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
