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CAS 1629658-33-8 (S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(1-(2-tert-butoxy-2-oxoethyl)-1H-indol-3-yl)propanoic acid molecular structure lightbox
CAS RN: 1629658-33-8

(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(1-(2-tert-butoxy-2-oxoethyl)-1H-indol-3-yl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250319 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-070508
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g, 10g, 25g
  • Available purity: ＞97%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1629658-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 2 In Stock Beijing Inquiry
0.25g -- 2 In Stock Beijing Inquiry
1g -- 2 In Stock Beijing Inquiry
5g -- 2 In Stock Beijing Inquiry
10g -- 2 In Stock Hong Kong Inquiry
25g -- 2 In Stock Beijing Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1629658-33-8 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indol-3-yl]propanoic acid

Standard CAS: 1629658-33-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1629658-33-8
Multi CAS
No
Molecular Formula
C32H32N2O6
Molecular Weight
540.600000
Exact Mass
540.226037
SMILES
CC(C)(C)OC(=O)CN1C=C(C2=CC=CC=C21)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C32H32N2O6/c1-32(2,3)40-29(35)18-34-17-20(21-10-8-9-15-28(21)34)16-27(30(36)37)33-31(38)39-19-26-24-13-6-4-11-22(24)23-12-5-7-14-25(23)26/h4-15,17,26-27H,16,18-19H2,1-3H3,(H,33,38)(H,36,37)/t27-/m0/s1
InChIKey
ILPINSZVEVYSEL-MHZLTWQESA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
21
Fraction Csp3
0.28
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
2
Molar refractivity
151.12
TPSA
106.86

LogP / Solubility

WLOGP
5.52
MLOGP
4.9
XLogP3
5.7
Consensus LogP
5.37
Log S (ESOL)
-6.53
Class (ESOL)
Insoluble
Log S (Ali)
-7.98
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.71
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5.5

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