![CAS 177472-60-5 Carbamic acid, [2-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester, (1S- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/177472-60-5.gif)
CAS RN: 177472-60-5
Carbamic acid, [2-(hydroxymethyl)cyclopropyl]-, 1,1-dimethylethyl ester, (1S-
Product Availability
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6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250828 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS177472-60-5
- Purity/Analytical Methods: >99.0%
177472-60-5 / tert-butyl N-[(1S,2S)-2-(hydroxymethyl)cyclopropyl]carbamate
Basic Information
CAS
177472-60-5
Multi CAS
No
Molecular Formula
C9H17NO3
Molecular Weight
187.240000
Exact Mass
187.120843
SMILES
CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CO
InChI
InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-7-4-6(7)5-11/h6-7,11H,4-5H2,1-3H3,(H,10,12)/t6-,7+/m1/s1
InChIKey
OCKKMJSVLVALMF-RQJHMYQMSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.35
TPSA
58.56
LogP / Solubility
WLOGP
0.89
MLOGP
0.78
XLogP3
1.3
Consensus LogP
0.99
Log S (ESOL)
-1.43
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.86
Class (SILICOS-IT)
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)
-3.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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