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CAS 885266-64-8 4-(Boc-aMino)-1-indoleacetic acid molecular structure lightbox
CAS RN: 885266-64-8

4-(Boc-aMino)-1-indoleacetic acid

  • Product code: SSC-199270
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 885266-64-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

885266-64-8 / 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]indol-1-yl]acetic acid

Standard CAS: 885266-64-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
885266-64-8
Multi CAS
No
Molecular Formula
C15H18N2O4
Molecular Weight
290.310000
Exact Mass
290.126657
InChI
InChI=1S/C15H18N2O4/c1-15(2,3)21-14(20)16-11-5-4-6-12-10(11)7-8-17(12)9-13(18)19/h4-8H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
AOFNYIODSIXUBL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
79.43
TPSA
80.56

LogP / Solubility

WLOGP
3.07
MLOGP
2.71
XLogP3
2.3
Consensus LogP
2.69
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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