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CAS 17662-84-9 D-Valine Benzyl Ester p-Toluenesulfonate molecular structure lightbox
CAS RN: 17662-84-9

D-Valine Benzyl Ester p-Toluenesulfonate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250831 5g / 25g / 100g / 500g Confirm by inquiry Shanghai 8-10 business days Inquiry
  • Product code: SSC-077318
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 17662-84-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

17662-84-9 / benzyl (2R)-2-amino-3-methylbutanoate;4-methylbenzenesulfonic acid

Standard CAS: 17662-84-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
17662-84-9
Multi CAS
No
Molecular Formula
C19H25NO5S
Molecular Weight
379.500000
Exact Mass
379.145344
SMILES
CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)[C@H](C(=O)OCC1=CC=CC=C1)N
InChI
InChI=1S/C12H17NO2.C7H8O3S/c1-9(2)11(13)12(14)15-8-10-6-4-3-5-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9,11H,8,13H2,1-2H3;2-5H,1H3,(H,8,9,10)/t11-;/m1./s1
InChIKey
QWUQVUDPBXFOKF-RFVHGSKJSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.32
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
100.05
TPSA
106.69

LogP / Solubility

WLOGP
2.95
MLOGP
2.62
XLogP3
2.95
Consensus LogP
2.84
Log S (ESOL)
-4.07
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
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
Yes
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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