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CAS 391200-37-6 Carbamic acid, [2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-, 1,1-dimethylethyl molecular structure lightbox
CAS RN: 391200-37-6

Carbamic acid, [2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-, 1,1-dimethylethyl

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251127 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS391200-37-6
  • Purity/Analytical Methods: >99.0%
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391200-37-6 / tert-butyl N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamate

Standard CAS: 391200-37-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
391200-37-6
Multi CAS
Yes
Molecular Formula
C9H19NO4
Molecular Weight
205.250000
Exact Mass
205.131408
InChI
InChI=1S/C9H19NO4/c1-8(2,3)14-7(13)10-9(4,5-11)6-12/h11-12H,5-6H2,1-4H3,(H,10,13)
InChIKey
ZBZMCDFHJKDEBS-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Fraction Csp3
0.89
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
3
Molar refractivity
51.95
TPSA
78.79

LogP / Solubility

WLOGP
0.25
MLOGP
0.22
XLogP3
-0.2
Consensus LogP
0.09
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.57
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)
-3.79

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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