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CAS 252206-29-4 Fmoc-D-Cys(Mtt)-OH molecular structure lightbox
CAS RN: 252206-29-4

Fmoc-D-Cys(Mtt)-OH

  • Product code: SSC-120977
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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 252206-29-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shenzhen Inquiry

252206-29-4 / 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methylphenyl)-diphenylmethyl]sulfanylpropanoic acid

Standard CAS: 252206-29-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
252206-29-4
Multi CAS
No
Molecular Formula
C38H33NO4S
Molecular Weight
599.700000
Exact Mass
599.213030
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46
InChI
InChI=1S/C38H33NO4S/c1-26-20-22-29(23-21-26)38(27-12-4-2-5-13-27,28-14-6-3-7-15-28)44-25-35(36(40)41)39-37(42)43-24-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35H,24-25H2,1H3,(H,39,42)(H,40,41)
InChIKey
PCCZXLMDPCBTSL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
30
Fraction Csp3
0.16
Rotatable bonds
10
H-bond acceptors
4
H-bond donors
2
Molar refractivity
176.03
TPSA
75.63

LogP / Solubility

WLOGP
8.01
MLOGP
7.1
XLogP3
8.4
Consensus LogP
7.84
Log S (ESOL)
-8.45
Class (ESOL)
Insoluble
Log S (Ali)
-10.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.69

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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