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CAS 807334-25-4 (S)-2-hydroxy-2-phenylethyl carbamate molecular structure lightbox
CAS RN: 807334-25-4

(S)-2-hydroxy-2-phenylethyl carbamate

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260223 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS807334-25-4
  • Purity/Analytical Methods: >99.0%
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807334-25-4 / (2-hydroxy-2-phenylethyl) carbamate

Standard CAS: 807334-25-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
807334-25-4
Multi CAS
Yes
Molecular Formula
C9H11NO3
Molecular Weight
181.190000
Exact Mass
181.073893
InChI
InChI=1S/C9H11NO3/c10-9(12)13-6-8(11)7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H2,10,12)/t8-/m1/s1
InChIKey
OCSOHUROTFFTFO-MRVPVSSYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
46.94
TPSA
72.55

LogP / Solubility

WLOGP
0.82
MLOGP
0.72
XLogP3
0.4
Consensus LogP
0.65
Log S (ESOL)
-1.62
Class (ESOL)
Soluble
Log S (Ali)
-1.63
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.87
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)
-3.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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