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CAS 554448-74-7 N-Cbz-R-(2-Indanyl)glycine molecular structure lightbox
CAS RN: 554448-74-7

N-Cbz-R-(2-Indanyl)glycine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260207 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS554448-74-7
  • Purity/Analytical Methods: >99.0%
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554448-74-7 / (2R)-2-(2,3-dihydro-1H-inden-2-yl)-2-(phenylmethoxycarbonylamino)acetic acid

Standard CAS: 554448-74-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
554448-74-7
Multi CAS
Yes
Molecular Formula
C19H19NO4
Molecular Weight
325.400000
Exact Mass
325.131408
InChI
InChI=1S/C19H19NO4/c21-18(22)17(16-10-14-8-4-5-9-15(14)11-16)20-19(23)24-12-13-6-2-1-3-7-13/h1-9,16-17H,10-12H2,(H,20,23)(H,21,22)/t17-/m1/s1
InChIKey
IUOFFQYUMLJQPJ-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
88.53
TPSA
75.63

LogP / Solubility

WLOGP
2.78
MLOGP
2.46
XLogP3
3.3
Consensus LogP
2.85
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.68
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.73

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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