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CAS 220497-50-7 FMOC-L-2-(5-BROMOTHIENYL)ALANINE molecular structure lightbox
CAS RN: 220497-50-7

FMOC-L-2-(5-BROMOTHIENYL)ALANINE

Product Availability

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3 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250204 100mg In stock Inquiry
Batchno.20251003 500mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250506 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-106065
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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 220497-50-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

220497-50-7 / (2S)-3-(5-bromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

Standard CAS: 220497-50-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
220497-50-7
Multi CAS
No
Molecular Formula
C22H18BrNO4S
Molecular Weight
472.400000
Exact Mass
471.013990
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC=C(S4)Br)C(=O)O
InChI
InChI=1S/C22H18BrNO4S/c23-20-10-9-13(29-20)11-19(21(25)26)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18-19H,11-12H2,(H,24,27)(H,25,26)/t19-/m0/s1
InChIKey
ABNLVFDGUSJGFG-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
29
Aromatic heavy atom count
17
Fraction Csp3
0.18
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
115.35
TPSA
75.63

LogP / Solubility

WLOGP
5.05
MLOGP
4.47
XLogP3
5.4
Consensus LogP
4.97
Log S (ESOL)
-5.98
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.08
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.64
Class (SILICOS-IT)
Insoluble

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
Yes
Log Kp (skin permeation)
-2.02

Drug-likeness / Medicinal Chemistry

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

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