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CAS 1118767-15-9 Semaglutide intermediate molecular structure lightbox
CAS RN: 1118767-15-9

Semaglutide intermediate

Product Availability

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6 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250314 100mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20251031 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
Batchno.20251116 1g In stock Shanghai, Chengdu Inquiry
Batchno.20250902 250mg In stock Shanghai Inquiry
Batchno.20250217 25g In stock Shanghai Inquiry
Batchno.20251214 5g In stock Shanghai Inquiry
  • Product code: SSC-012351
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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: ＞97%
  • 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 1118767-15-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry

1118767-15-9 / tert-butyl 18-[[(2S)-5-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-1-[(2-methylpropan-2-yl)oxy]-1,5-dioxopentan-2-yl]amino]-18-oxooctadecanoate

(S)-21,39-di-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) 9,18,23-trioxo-2,5,11,14-tetraoxa-8,17,22-triazanonatriacontane-1,21,39-tricarboxylate | tBuO-Ste-Glu(OtBu)-AEEA-AEEA-OSU | tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate

Standard CAS: 1118767-15-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1118767-15-9
Multi CAS
Yes
Molecular Formula
C47H82N4O15
Molecular Weight
943.200000
Exact Mass
942.577668
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C47H82N4O15/c1-46(2,3)64-43(57)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-39(53)50-37(45(59)65-47(4,5)6)23-24-38(52)48-27-29-60-31-33-62-35-40(54)49-28-30-61-32-34-63-36-44(58)66-51-41(55)25-26-42(51)56/h37H,7-36H2,1-6H3,(H,48,52)(H,49,54)(H,50,53)/t37-/m0/s1
InChIKey
ZYJILBKLUVJVKQ-QNGWXLTQSA-N
Synonyms
(S)-21,39-di-tert-butyl 1-(2,5-dioxopyrrolidin-1-yl) 9,18,23-trioxo-2,5,11,14-tetraoxa-8,17,22-triazanonatriacontane-1,21,39-tricarboxylate tBuO-Ste-Glu(OtBu)-AEEA-AEEA-OSU tert-butyl 18-[[(1S)-1-tert-butoxycarbonyl-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxo-ethoxy]ethoxy]ethylamino]-2-oxo-ethoxy]ethoxy]ethylamino]-4-oxo-butyl]amino]-18-oxo-octadecanoate C47H82N4O15 MFCD32661370

Computed Properties

Structural Parameters

Heavy atom count
66
Fraction Csp3
0.83
Rotatable bonds
39
H-bond acceptors
15
H-bond donors
3
Molar refractivity
243.2
TPSA
240.5

LogP / Solubility

WLOGP
5.08
MLOGP
4.56
XLogP3
5.8
Consensus LogP
5.15
Log S (ESOL)
-6.32
Class (ESOL)
Insoluble
Log S (Ali)
-10.96
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.69
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)
-4.86

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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