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CAS 222842-99-1 FMoc-L-4-(OtButylcarboxyMethyl)phe-OH molecular structure lightbox
CAS RN: 222842-99-1

FMoc-L-4-(OtButylcarboxyMethyl)phe-OH

Product Availability

Choose a grade to view its available package options.

6 package records5 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250830 10mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260129 100mg In stock Shanghai, Tianjin Inquiry
Batchno.20250519 1g In stock Shanghai Inquiry
Batchno.20250911 250mg In stock Shanghai, Shenzhen, Chengdu Inquiry
Batchno.20260404 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250307 5g In stock Shanghai Inquiry
  • Product code: SSC-108026
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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: 0.1g, 0.25g, 1g, 5g
  • 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 222842-99-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ＞97% 0 Out of Stock Hong Kong Inquiry
0.25g ＞97% 0 Out of Stock Shanghai Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry

222842-99-1 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]phenyl]propanoic acid

Standard CAS: 222842-99-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
222842-99-1
Multi CAS
No
Molecular Formula
C30H31NO6
Molecular Weight
501.600000
Exact Mass
501.215138
SMILES
CC(C)(C)OC(=O)CC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C30H31NO6/c1-30(2,3)37-27(32)17-20-14-12-19(13-15-20)16-26(28(33)34)31-29(35)36-18-25-23-10-6-4-8-21(23)22-9-5-7-11-24(22)25/h4-15,25-26H,16-18H2,1-3H3,(H,31,35)(H,33,34)/t26-/m0/s1
InChIKey
SHGRYGUUIUHNLH-SANMLTNESA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
18
Fraction Csp3
0.3
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
2
Molar refractivity
139.32
TPSA
101.93

LogP / Solubility

WLOGP
5.11
MLOGP
4.53
XLogP3
5.4
Consensus LogP
5.01
Log S (ESOL)
-6
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.12
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.56
Leadlikeness
No
Synthetic Accessibility
5

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