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CAS 10436-21-2 PROTAC Linker 32 molecular structure lightbox
CAS RN: 10436-21-2

PROTAC Linker 32

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250108 1mg / 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS10436-21-2
  • Purity/Analytical Methods: >99.0%
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10436-21-2 / 6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]-6-oxohexanoic acid

Boc-NH-C6-amido-C4-acid | PROTAC Linker 32 | 6-((6-((TERT-BUTOXYCARBONYL)AMINO)HEXYL)AMINO)-6-OXOHEXANOIC ACID

Standard CAS: 10436-21-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
10436-21-2
Multi CAS
No
Molecular Formula
C17H32N2O5
Molecular Weight
344.400000
Exact Mass
344.231122
SMILES
CC(C)(C)OC(=O)NCCCCCCNC(=O)CCCCC(=O)O
InChI
InChI=1S/C17H32N2O5/c1-17(2,3)24-16(23)19-13-9-5-4-8-12-18-14(20)10-6-7-11-15(21)22/h4-13H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)
InChIKey
VCIQUSOFCWVBLU-UHFFFAOYSA-N
Synonyms
Boc-NH-C6-amido-C4-acid PROTAC Linker 32 6-((6-((TERT-BUTOXYCARBONYL)AMINO)HEXYL)AMINO)-6-OXOHEXANOIC ACID 13-((Tert-butoxycarbonyl)amino)-6-oxotridecanoic acid 5-[(6-{[(tert-butoxy)carbonyl]amino}hexyl)carbamoyl]pentanoic acid

Computed Properties

Structural Parameters

Heavy atom count
24
Fraction Csp3
0.82
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
3
Molar refractivity
91.82
TPSA
104.73

LogP / Solubility

WLOGP
2.83
MLOGP
2.51
XLogP3
1.8
Consensus LogP
2.38
Log S (ESOL)
-2.97
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.69
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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