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CAS 91292-54-5 N-Boc-N-methyl-S-trityl-L-cysteine molecular structure lightbox
CAS RN: 91292-54-5

N-Boc-N-methyl-S-trityl-L-cysteine

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250409 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-204242
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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: ≥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 91292-54-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

91292-54-5 / (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-tritylsulfanylpropanoic acid

Standard CAS: 91292-54-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
91292-54-5
Multi CAS
Yes
Molecular Formula
C28H31NO4S
Molecular Weight
477.600000
Exact Mass
477.197380
InChI
InChI=1S/C28H31NO4S/c1-27(2,3)33-26(32)29(4)24(25(30)31)20-34-28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19,24H,20H2,1-4H3,(H,30,31)/t24-/m0/s1
InChIKey
IWQYQHAVCMXYML-DEOSSOPVSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
18
Fraction Csp3
0.29
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
137.09
TPSA
66.84

LogP / Solubility

WLOGP
6.03
MLOGP
5.34
XLogP3
6.1
Consensus LogP
5.82
Log S (ESOL)
-6.47
Class (ESOL)
Insoluble
Log S (Ali)
-7.83
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.73
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)
-1.35

Drug-likeness / Medicinal Chemistry

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

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