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CAS 83460-84-8 (S)-METHYL 3-(CBZ-AMINO)BUTANOATE molecular structure lightbox
CAS RN: 83460-84-8

(S)-METHYL 3-(CBZ-AMINO)BUTANOATE

Product Availability

Available package options are listed below.

1 package records0 with current stock
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260328 200mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS83460-84-8
  • Purity/Analytical Methods: >99.0%
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83460-84-8 / methyl (3S)-3-(phenylmethoxycarbonylamino)butanoate

Standard CAS: 83460-84-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83460-84-8
Multi CAS
Yes
Molecular Formula
C13H17NO4
Molecular Weight
251.280000
Exact Mass
251.115758
InChI
InChI=1S/C13H17NO4/c1-10(8-12(15)17-2)14-13(16)18-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)/t10-/m0/s1
InChIKey
HSKIGKMMMZQYID-JTQLQIEISA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
1
Molar refractivity
65.86
TPSA
64.63

LogP / Solubility

WLOGP
1.86
MLOGP
1.65
XLogP3
1.7
Consensus LogP
1.74
Log S (ESOL)
-2.49
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.97
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.44
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

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

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