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CAS 1188328-37-1 LY1001 molecular structure lightbox
CAS RN: 1188328-37-1

LY1001

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250308 250mg / 1g / 5g / 25g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-019056
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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: 0.25g, 1g, 5g, 10g
  • Available purity: ≥98%
  • 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 1188328-37-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ≥98% 0 Out of Stock Beijing Inquiry
1g ≥98% 0 Out of Stock Shenzhen Inquiry
5g ≥98% 0 Out of Stock Hong Kong Inquiry
10g ≥98% 0 Out of Stock Beijing Inquiry

1188328-37-1 / 2-[2-[2-[[2-[2-[2-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[[20-[(2-methylpropan-2-yl)oxy]-20-oxoicosanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid

(S)-22-(tert-Butoxycarbonyl)-45,45-dimethyl-10,19,24,43-tetraoxo-3,6,12,15,44-pentaoxa-9,18,23-triazahexatetracontanoic acid | tBuO-Ara-Glu(AEEA-AEEA-OH)-OtBu | Semaglutide impurity 84

Standard CAS: 1188328-37-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1188328-37-1
Multi CAS
Yes
Molecular Formula
C45H83N3O13
Molecular Weight
874.200000
Exact Mass
873.592590
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C45H83N3O13/c1-44(2,3)60-42(54)24-22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-23-39(50)48-37(43(55)61-45(4,5)6)25-26-38(49)46-27-29-56-31-33-58-35-40(51)47-28-30-57-32-34-59-36-41(52)53/h37H,7-36H2,1-6H3,(H,46,49)(H,47,51)(H,48,50)(H,52,53)/t37-/m0/s1
InChIKey
WFSAVPRDBQIQAX-QNGWXLTQSA-N
Synonyms
(S)-22-(tert-Butoxycarbonyl)-45,45-dimethyl-10,19,24,43-tetraoxo-3,6,12,15,44-pentaoxa-9,18,23-triazahexatetracontanoic acid tBuO-Ara-Glu(AEEA-AEEA-OH)-OtBu Semaglutide impurity 84 C20-OtBu-Glu(OtBu)-AEEA-AEEA-OH Semaglutide impurity 83

Computed Properties

Structural Parameters

Heavy atom count
61
Fraction Csp3
0.87
Rotatable bonds
40
H-bond acceptors
12
H-bond donors
4
Molar refractivity
232.89
TPSA
214.12

LogP / Solubility

WLOGP
6.34
MLOGP
5.66
XLogP3
7.5
Consensus LogP
6.5
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-11.31
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.4
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)
-3.55

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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