CAS RN: 1210348-16-5
(1R,3S,4S)-3-(Boc-aMino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260320 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-022395
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
1210348-16-5 / ethyl (1R,3S,4S)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
ethyl (1S,3R,4R)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclohexane-1-carboxylate | ethyl (1S,3R,4R)-3-(((tert-butoxy)carbonyl)amino)-4-hydroxycyclohexane-1-carboxylate | RefChem:592899
Basic Information
CAS
1210348-16-5
Multi CAS
Yes
Molecular Formula
C14H25NO5
Molecular Weight
287.350000
Exact Mass
287.173273
SMILES
CCOC(=O)[C@@H]1CC[C@@H]([C@H](C1)NC(=O)OC(C)(C)C)O
InChI
InChI=1S/C14H25NO5/c1-5-19-12(17)9-6-7-11(16)10(8-9)15-13(18)20-14(2,3)4/h9-11,16H,5-8H2,1-4H3,(H,15,18)/t9-,10+,11+/m1/s1
InChIKey
YFFMJGAVWORNIZ-VWYCJHECSA-N
Synonyms
ethyl (1S,3R,4R)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxycyclohexane-1-carboxylate
ethyl (1S,3R,4R)-3-(((tert-butoxy)carbonyl)amino)-4-hydroxycyclohexane-1-carboxylate
RefChem:592899
966-581-6
(1S,3R,4R)-3-(Boc-amino)-4-hydroxy-cyclohexanecarboxylic acid ethyl ester
Computed Properties
Structural Parameters
Heavy atom count
20
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.14
TPSA
84.86
LogP / Solubility
WLOGP
1.6
MLOGP
1.42
XLogP3
1.4
Consensus LogP
1.47
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.07
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.22
Class (SILICOS-IT)
Poorly 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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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