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CAS 1799443-50-7 (R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid molecular structure lightbox
CAS RN: 1799443-50-7

(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-(4-(tert-butoxy)phenyl)propanoic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250625 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-080285
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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: ≥95%
  • 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 1799443-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1799443-50-7 / (2R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid

Standard CAS: 1799443-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1799443-50-7
Multi CAS
No
Molecular Formula
C29H31NO5
Molecular Weight
473.600000
Exact Mass
473.220223
SMILES
CC(C)(C)OC1=CC=C(C=C1)C[C@H](C(=O)O)N(C)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C29H31NO5/c1-29(2,3)35-20-15-13-19(14-16-20)17-26(27(31)32)30(4)28(33)34-18-25-23-11-7-5-9-21(23)22-10-6-8-12-24(22)25/h5-16,25-26H,17-18H2,1-4H3,(H,31,32)/t26-/m1/s1
InChIKey
WTLSDEYZKFJXFT-AREMUKBSSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
18
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
4
H-bond donors
1
Molar refractivity
134.78
TPSA
76.07

LogP / Solubility

WLOGP
5.74
MLOGP
5.08
XLogP3
5.8
Consensus LogP
5.54
Log S (ESOL)
-6.31
Class (ESOL)
Insoluble
Log S (Ali)
-7.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.34
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.53

Drug-likeness / Medicinal Chemistry

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

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