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CAS 1186216-21-6 FMoc-(S)-3-AMino-4-(2-naphthyl)-butyric acid molecular structure lightbox
CAS RN: 1186216-21-6

FMoc-(S)-3-AMino-4-(2-naphthyl)-butyric acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251215 100mg / 250mg / 1g / 5g Out of stock 15 business days Inquiry
  • Product code: SSC-018485
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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 1186216-21-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shanghai Inquiry

1186216-21-6 / (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-naphthalen-2-ylbutanoic acid

(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(naphthalen-2-yl)butanoic acid | Fmoc-(S)-3-Amino-4-(2-naphthyl)-butyric acid | (S)-3-(Fmoc-amino)-4-(2-naphthyl)butyric acid

Standard CAS: 1186216-21-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1186216-21-6
Multi CAS
Yes
Molecular Formula
C29H25NO4
Molecular Weight
451.500000
Exact Mass
451.178358
SMILES
C1=CC=C2C=C(C=CC2=C1)C[C@@H](CC(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
InChI
InChI=1S/C29H25NO4/c31-28(32)17-22(16-19-13-14-20-7-1-2-8-21(20)15-19)30-29(33)34-18-27-25-11-5-3-9-23(25)24-10-4-6-12-26(24)27/h1-15,22,27H,16-18H2,(H,30,33)(H,31,32)/t22-/m0/s1
InChIKey
LQGDRWACMZMSCD-QFIPXVFZSA-N
Synonyms
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(naphthalen-2-yl)butanoic acid Fmoc-(S)-3-Amino-4-(2-naphthyl)-butyric acid (S)-3-(Fmoc-amino)-4-(2-naphthyl)butyric acid MFCD01861036 (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-naphthalen-2-ylbutanoic acid

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
22
Fraction Csp3
0.17
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
2
Molar refractivity
131.9
TPSA
75.63

LogP / Solubility

WLOGP
5.76
MLOGP
5.1
XLogP3
5.8
Consensus LogP
5.55
Log S (ESOL)
-6.29
Class (ESOL)
Insoluble
Log S (Ali)
-7.42
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.22
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)
-1.38

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4

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