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CAS 133628-28-1 BOC-LYS(FMOC)-OME molecular structure lightbox
CAS RN: 133628-28-1

BOC-LYS(FMOC)-OME

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251001 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-040521
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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: 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 133628-28-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

133628-28-1 / methyl (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate

Standard CAS: 133628-28-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
133628-28-1
Multi CAS
No
Molecular Formula
C27H34N2O6
Molecular Weight
482.600000
Exact Mass
482.241687
SMILES
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)OC
InChI
InChI=1S/C27H34N2O6/c1-27(2,3)35-26(32)29-23(24(30)33-4)15-9-10-16-28-25(31)34-17-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h5-8,11-14,22-23H,9-10,15-17H2,1-4H3,(H,28,31)(H,29,32)/t23-/m0/s1
InChIKey
NUSZDVABASFMMF-QHCPKHFHSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Aromatic heavy atom count
12
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
6
H-bond donors
2
Molar refractivity
132.1
TPSA
102.96

LogP / Solubility

WLOGP
4.76
MLOGP
4.22
XLogP3
4.8
Consensus LogP
4.59
Log S (ESOL)
-5.49
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.83
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.28

Drug-likeness / Medicinal Chemistry

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

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