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CAS 149490-60-8 (S)-2-(Butylsulfonamido)-3-(4-hydroxyphenyl)propanoic acid molecular structure lightbox
CAS RN: 149490-60-8

(S)-2-(Butylsulfonamido)-3-(4-hydroxyphenyl)propanoic acid

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260116 100g Out of stock Inquiry
Batchno.20260107 10g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260618 1g In stock Chengdu Inquiry
Batchno.20260108 250mg In stock Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260125 25g In stock Tianjin, Wuhan Inquiry
Batchno.20260502 5g In stock Shanghai, Shenzhen, Wuhan, Chengdu Inquiry
Batchno.20251216 5g / 10g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-059511
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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 149490-60-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ＞97% 0 Out of Stock Shenzhen Inquiry

149490-60-8 / (2S)-2-(butylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid

Standard CAS: 149490-60-8 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
149490-60-8
Multi CAS
No
Molecular Formula
C13H19NO5S
Molecular Weight
301.360000
Exact Mass
301.098394
SMILES
CCCCS(=O)(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)O
InChI
InChI=1S/C13H19NO5S/c1-2-3-8-20(18,19)14-12(13(16)17)9-10-4-6-11(15)7-5-10/h4-7,12,14-15H,2-3,8-9H2,1H3,(H,16,17)/t12-/m0/s1
InChIKey
VCKJOKXXEIQENI-LBPRGKRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
3
Molar refractivity
75.07
TPSA
103.7

LogP / Solubility

WLOGP
1.11
MLOGP
0.99
XLogP3
1.8
Consensus LogP
1.3
Log S (ESOL)
-2.1
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.83
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.5
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
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 (50%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (50%): 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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