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CAS 13518-40-6 L-Valine tert-Butyl Ester Hydrochloride molecular structure lightbox
CAS RN: 13518-40-6

L-Valine tert-Butyl Ester Hydrochloride

Product Availability

Choose a grade to view its available package options.

5 package records2 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250313 100g Out of stock Inquiry
Batchno.20250102 1g In stock Inquiry
Batchno.20251130 25g Out of stock Inquiry
Batchno.20250917 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260129 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-043134
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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: 1g, 10g, 5g, 25g, 100g, 500g, 1000g
  • 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 13518-40-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g -- 4 In Stock Hong Kong Inquiry
1g >97% 4 In Stock Hong Kong Inquiry
10g >97% 4 In Stock Shanghai Inquiry
5g >97% 2 In Stock Beijing Inquiry
5g -- 1 In Stock Hong Kong Inquiry
10g -- 1 In Stock Shenzhen Inquiry
25g -- 0 Out of Stock Shanghai Inquiry
25g >97% 0 Out of Stock Hong Kong Inquiry
100g -- 0 Out of Stock Shanghai Inquiry
100g >97% 0 Out of Stock Hong Kong Inquiry
500g -- 0 Out of Stock Shanghai Inquiry
500g >97% 0 Out of Stock Shenzhen Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

13518-40-6 / tert-butyl (2S)-2-amino-3-methylbutanoate;hydrochloride

Standard CAS: 13518-40-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13518-40-6
Multi CAS
No
Molecular Formula
C9H20ClNO2
Molecular Weight
209.710000
Exact Mass
209.118257
SMILES
CC(C)[C@@H](C(=O)OC(C)(C)C)N.Cl
InChI
InChI=1S/C9H19NO2.ClH/c1-6(2)7(10)8(11)12-9(3,4)5;/h6-7H,10H2,1-5H3;1H/t7-;/m0./s1
InChIKey
AUIVQIHTTVPKFS-FJXQXJEOSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.89
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.91
TPSA
52.32

LogP / Solubility

WLOGP
1.73
MLOGP
1.53
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.53
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.7
Class (SILICOS-IT)
Moderately 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)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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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