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CAS 204138-23-8 N-Boc-L-isoleucine heMihydrate, 98+% molecular structure lightbox
CAS RN: 204138-23-8

N-Boc-L-isoleucine heMihydrate, 98+%

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251213 100g In stock Inquiry
Batchno.20251222 25g In stock Inquiry
Batchno.20250605 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251217 25g / 100g Out of stock 5-7 business days Inquiry
  • Product code: SSC-096041
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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: 10g, 25g, 100g, 5g, 500g
  • Available purity: ≥97%
  • Inventory rows with stock: 5
  • 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 204138-23-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
10g ≥97% 5 In Stock Hong Kong Inquiry
25g ≥97% 5 In Stock Hong Kong Inquiry
100g ≥97% 5 In Stock Shanghai Inquiry
5g ≥97% 1 In Stock Shenzhen Inquiry
500g ≥97% 1 In Stock Shenzhen Inquiry

204138-23-8 / bis((2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid);hydrate

Standard CAS: 204138-23-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
204138-23-8
Multi CAS
No
Molecular Formula
C22H44N2O9
Molecular Weight
480.600000
Exact Mass
480.304681
SMILES
CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C.CC[C@H](C)[C@@H](C(=O)O)NC(=O)OC(C)(C)C.O
InChI
InChI=1S/2C11H21NO4.H2O/c2*1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5;/h2*7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t2*7-,8-;/m00./s1
InChIKey
NYGJSARLXBZKTA-AQHOMMPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Fraction Csp3
0.82
Rotatable bonds
8
H-bond acceptors
6
H-bond donors
4
Molar refractivity
124.11
TPSA
182.76

LogP / Solubility

WLOGP
3.2
MLOGP
2.85
XLogP3
3.2
Consensus LogP
3.08
Log S (ESOL)
-4.31
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.4
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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