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CAS 246539-83-3 (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid molecular structure lightbox
CAS RN: 246539-83-3

(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250309 100mg / 250mg Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-119578
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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 246539-83-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

246539-83-3 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-hydroxyphenyl)-2-methylpropanoic acid

Standard CAS: 246539-83-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
246539-83-3
Multi CAS
Yes
Molecular Formula
C25H23NO5
Molecular Weight
417.500000
Exact Mass
417.157623
InChI
InChI=1S/C25H23NO5/c1-25(23(28)29,14-16-10-12-17(27)13-11-16)26-24(30)31-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22,27H,14-15H2,1H3,(H,26,30)(H,28,29)/t25-/m0/s1
InChIKey
DRUHZAKWMCLMLZ-VWLOTQADSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
3
Molar refractivity
116.06
TPSA
95.86

LogP / Solubility

WLOGP
4.32
MLOGP
3.82
XLogP3
4.5
Consensus LogP
4.21
Log S (ESOL)
-5.18
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.68
Class (SILICOS-IT)
Insoluble

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)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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