![CAS 1821837-11-9 (2R)-2-{[(tert-butoxy)carbonyl]amino}heptanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1821837-11-9.gif)
CAS RN: 1821837-11-9
(2R)-2-{[(tert-butoxy)carbonyl]amino}heptanoic acid
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.20251115 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1821837-11-9
- Purity/Analytical Methods: >99.0%
1821837-11-9 / (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
Basic Information
CAS
1821837-11-9
Multi CAS
No
Molecular Formula
C12H23NO4
Molecular Weight
245.320000
Exact Mass
245.162708
SMILES
CCCCC[C@H](C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H23NO4/c1-5-6-7-8-9(10(14)15)13-11(16)17-12(2,3)4/h9H,5-8H2,1-4H3,(H,13,16)(H,14,15)/t9-/m1/s1
InChIKey
XVQDXDHZJPGIIN-SECBINFHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.83
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
64.94
TPSA
75.63
LogP / Solubility
WLOGP
2.54
MLOGP
2.24
XLogP3
2.9
Consensus LogP
2.56
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.09
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1822358-25-7 2-((3S,5R)-3,5-dimethylpiperazin-1-yl)benzo[4,5]imidazo[1,2-a][1,8]naphthyridine-6-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1822358-25-7.gif)