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CAS 197892-17-4 Boc-D-Dab(Z)(ol) molecular structure lightbox
CAS RN: 197892-17-4

Boc-D-Dab(Z)(ol)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260126 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS197892-17-4
  • Purity/Analytical Methods: >99.0%
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197892-17-4 / benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate

Standard CAS: 197892-17-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
197892-17-4
Multi CAS
No
Molecular Formula
C17H26N2O5
Molecular Weight
338.400000
Exact Mass
338.184172
SMILES
CC(C)(C)OC(=O)N[C@H](CCNC(=O)OCC1=CC=CC=C1)CO
InChI
InChI=1S/C17H26N2O5/c1-17(2,3)24-16(22)19-14(11-20)9-10-18-15(21)23-12-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m1/s1
InChIKey
SLMOCVXNGYHGJK-CQSZACIVSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.53
Rotatable bonds
7
H-bond acceptors
5
H-bond donors
3
Molar refractivity
89.49
TPSA
96.89

LogP / Solubility

WLOGP
2.19
MLOGP
1.94
XLogP3
1.9
Consensus LogP
2.01
Log S (ESOL)
-3.04
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.92
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.52
Class (SILICOS-IT)
Slightly 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)
-3.23

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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