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CAS 190190-48-8 BOC-(R)-3-AMINO-4-(3-BENZOTHIENYL)-BUTYRIC ACID molecular structure lightbox
CAS RN: 190190-48-8

BOC-(R)-3-AMINO-4-(3-BENZOTHIENYL)-BUTYRIC ACID

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260103 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-089046
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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: 1g
  • 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 190190-48-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

190190-48-8 / (3R)-4-(1-benzothiophen-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Standard CAS: 190190-48-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
190190-48-8
Multi CAS
No
Molecular Formula
C17H21NO4S
Molecular Weight
335.400000
Exact Mass
335.119129
SMILES
CC(C)(C)OC(=O)N[C@H](CC1=CSC2=CC=CC=C21)CC(=O)O
InChI
InChI=1S/C17H21NO4S/c1-17(2,3)22-16(21)18-12(9-15(19)20)8-11-10-23-14-7-5-4-6-13(11)14/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t12-/m1/s1
InChIKey
VRUFHPBCNHYEPJ-GFCCVEGCSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Aromatic heavy atom count
9
Fraction Csp3
0.41
Rotatable bonds
5
H-bond acceptors
4
H-bond donors
2
Molar refractivity
90.94
TPSA
75.63

LogP / Solubility

WLOGP
3.81
MLOGP
3.37
XLogP3
3.5
Consensus LogP
3.56
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.6
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.06

Drug-likeness / Medicinal Chemistry

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

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