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CAS 119798-08-2 BOC4-SPER-CO2H molecular structure lightbox
CAS RN: 119798-08-2

BOC4-SPER-CO2H

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250227 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: SSC-020536
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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 119798-08-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

119798-08-2 / (2S)-2,5-bis[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]pentanoic acid

tetra-Boc-spermine-5-carboxylic acid | DTXSID80373188 | RefChem:383943

Standard CAS: 119798-08-2 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
119798-08-2
Multi CAS
Yes
Molecular Formula
C31H58N4O10
Molecular Weight
646.800000
Exact Mass
646.415294
SMILES
CC(C)(C)OC(=O)NCCCN(CCC[C@@H](C(=O)O)N(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C31H58N4O10/c1-28(2,3)42-24(38)32-17-14-20-34(26(40)44-30(7,8)9)19-13-16-22(23(36)37)35(27(41)45-31(10,11)12)21-15-18-33-25(39)43-29(4,5)6/h22H,13-21H2,1-12H3,(H,32,38)(H,33,39)(H,36,37)/t22-/m0/s1
InChIKey
HSPKBBVFWXCYJN-QFIPXVFZSA-N
Synonyms
tetra-Boc-spermine-5-carboxylic acid DTXSID80373188 RefChem:383943 DTXCID70324220 BOC4-SPER-CO2H

Computed Properties

Structural Parameters

Heavy atom count
45
Fraction Csp3
0.84
Rotatable bonds
14
H-bond acceptors
9
H-bond donors
3
Molar refractivity
169.11
TPSA
173.04

LogP / Solubility

WLOGP
5.52
MLOGP
4.91
XLogP3
4.5
Consensus LogP
4.98
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-8.85
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.13
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.74

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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