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CAS 148254-21-1 5′-THIOL MODIFIER C6 DISULFIDE molecular structure lightbox
CAS RN: 148254-21-1

5′-THIOL MODIFIER C6 DISULFIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260318 100mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-058623
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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 148254-21-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

148254-21-1 / 3-[6-[6-[bis(4-methoxyphenyl)-phenylmethoxy]hexyldisulfanyl]hexoxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile

Standard CAS: 148254-21-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
148254-21-1
Multi CAS
No
Molecular Formula
C42H61N2O5PS2
Molecular Weight
769.100000
Exact Mass
768.375952
SMILES
CC(C)N(C(C)C)P(OCCCCCCSSCCCCCCOC(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)OCCC#N
InChI
InChI=1S/C42H61N2O5PS2/c1-35(2)44(36(3)4)50(49-32-18-29-43)48-31-15-8-10-17-34-52-51-33-16-9-7-14-30-47-42(37-19-12-11-13-20-37,38-21-25-40(45-5)26-22-38)39-23-27-41(46-6)28-24-39/h11-13,19-28,35-36H,7-10,14-18,30-34H2,1-6H3
InChIKey
VEONRKLBSGQZRU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
52
Aromatic heavy atom count
18
Fraction Csp3
0.55
Rotatable bonds
28
H-bond acceptors
9
Molar refractivity
221.28
TPSA
73.18

LogP / Solubility

WLOGP
11.81
MLOGP
10.46
XLogP3
9.6
Consensus LogP
10.62
Log S (ESOL)
-10.45
Class (ESOL)
Insoluble
Log S (Ali)
-14.39
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-17.82
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)
0.97

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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