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CAS 18598-74-8 L-Isoleucine Methyl Ester Hydrochloride molecular structure lightbox
CAS RN: 18598-74-8

L-Isoleucine Methyl Ester Hydrochloride

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 100g In stock Inquiry
Batchno.20250822 10g In stock Inquiry
Batchno.20250607 1g Out of stock Inquiry
Batchno.20251226 25g In stock Inquiry
Batchno.20260223 500g In stock Inquiry
Batchno.20260428 5g In stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260521 1g / 5g / 25g / 100g / 500g / 2.5kg Confirm by inquiry Shanghai, Shandong, Chongqing, Hebei Inquiry
  • Product code: SSC-086138
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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: 5g, 10g, 25g, 100g, 500g
  • Available purity: ≥98%
  • 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 18598-74-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 5 In Stock Hong Kong Inquiry
10g ≥98% 5 In Stock Shanghai Inquiry
25g ≥98% 5 In Stock Shanghai Inquiry
100g ≥98% 5 In Stock Shanghai Inquiry
500g ≥98% 3 In Stock Shenzhen Inquiry

18598-74-8 / methyl (2S,3S)-2-amino-3-methylpentanoate;hydrochloride

Standard CAS: 18598-74-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18598-74-8
Multi CAS
No
Molecular Formula
C7H16ClNO2
Molecular Weight
181.660000
Exact Mass
181.086956
SMILES
CC[C@H](C)[C@@H](C(=O)OC)N.Cl
InChI
InChI=1S/C7H15NO2.ClH/c1-4-5(2)6(8)7(9)10-3;/h5-6H,4,8H2,1-3H3;1H/t5-,6-;/m0./s1
InChIKey
GGTBEWGOPAFTTH-GEMLJDPKSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
46.69
TPSA
52.32

LogP / Solubility

WLOGP
0.95
MLOGP
0.84
XLogP3
0.95
Consensus LogP
0.91
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.99
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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