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CAS 1234875-52-5 L-N-Boc-6-chlorotryptophan molecular structure lightbox
CAS RN: 1234875-52-5

L-N-Boc-6-chlorotryptophan

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-027216
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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
  • Available purity: >95%
  • Inventory rows with stock: 3
  • 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 1234875-52-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 3 In Stock Hong Kong Inquiry
0.25g >95% 3 In Stock Beijing Inquiry
1g >95% 2 In Stock Shenzhen Inquiry

1234875-52-5 / (2S)-3-(6-chloro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Standard CAS: 1234875-52-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1234875-52-5
Multi CAS
No
Molecular Formula
C16H19ClN2O4
Molecular Weight
338.780000
Exact Mass
338.103335
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=CC(=C2)Cl)C(=O)O
InChI
InChI=1S/C16H19ClN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-7-10(17)4-5-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKey
QIUZGOVYNVWFFN-ZDUSSCGKSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
87.81
TPSA
91.42

LogP / Solubility

WLOGP
3.34
MLOGP
2.96
XLogP3
2.6
Consensus LogP
2.97
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.75
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.12
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)
-2.41

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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