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CAS 182201-77-0 S-((9H-fluoren-9-yl)methyl)-N-((allyloxy)carbonyl)-L-cysteine molecular structure lightbox
CAS RN: 182201-77-0

S-((9H-fluoren-9-yl)methyl)-N-((allyloxy)carbonyl)-L-cysteine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260520 100mg / 250mg / 1g Out of stock 15 business days Inquiry
  • Product code: SSC-083227
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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 182201-77-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 0 Out of Stock Shenzhen Inquiry

182201-77-0 / (2R)-3-(9H-fluoren-9-ylmethylsulfanyl)-2-(prop-2-enoxycarbonylamino)propanoic acid

Standard CAS: 182201-77-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
182201-77-0
Multi CAS
No
Molecular Formula
C21H21NO4S
Molecular Weight
383.500000
Exact Mass
383.119129
SMILES
C=CCOC(=O)N[C@@H](CSCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O
InChI
InChI=1S/C21H21NO4S/c1-2-11-26-21(25)22-19(20(23)24)13-27-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19H,1,11-13H2,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey
MUSZBDPVJSUUQY-IBGZPJMESA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
2
Molar refractivity
107.15
TPSA
75.63

LogP / Solubility

WLOGP
3.9
MLOGP
3.45
XLogP3
4
Consensus LogP
3.78
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.52
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.35
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)
-2.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3

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