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CAS 1118767-16-0 (S)-22-(Tert-butoxycarbonyl)-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontane-1,41-dioic acid molecular structure lightbox
CAS RN: 1118767-16-0

(S)-22-(Tert-butoxycarbonyl)-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontane-1,41-dioic acid

Product Availability

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7 package records7 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250803 100g In stock Shanghai Inquiry
Batchno.20250930 100mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250504 100mg / 250mg / 500mg / 1g / 5g / 25g Confirm by inquiry Shanghai 5-7 business days Inquiry
Batchno.20260623 1g In stock Shanghai Inquiry
Batchno.20251004 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20260124 25g In stock Shanghai Inquiry
Batchno.20250523 5g In stock Shanghai, Shenzhen, Chengdu Inquiry
  • Product code: SSC-012352
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 1g, 5g, 10g, 25g, 0.1g, 0.25g, 100g
  • Available purity: >95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1118767-16-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g >95% 5 In Stock Shenzhen Inquiry
5g >95% 5 In Stock Shanghai Inquiry
10g >95% 5 In Stock Shenzhen Inquiry
25g >95% 5 In Stock Beijing Inquiry
0.1g >95% 2 In Stock Beijing Inquiry
0.25g >95% 2 In Stock Hong Kong Inquiry
100g >95% 0 Out of Stock Hong Kong Inquiry

1118767-16-0 / 2-[2-[2-[[2-[2-[2-[[(4S)-5-[(2-methylpropan-2-yl)oxy]-4-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5-oxopentanoyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetic acid

tBuO-Ste-Glu(AEEA-AEEA-OH)-OtBu | DVN2QPW6DR | RefChem:1099409

Standard CAS: 1118767-16-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1118767-16-0
Multi CAS
Yes
Molecular Formula
C43H79N3O13
Molecular Weight
846.100000
Exact Mass
845.561290
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C43H79N3O13/c1-42(2,3)58-40(52)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-37(48)46-35(41(53)59-43(4,5)6)23-24-36(47)44-25-27-54-29-31-56-33-38(49)45-26-28-55-30-32-57-34-39(50)51/h35H,7-34H2,1-6H3,(H,44,47)(H,45,49)(H,46,48)(H,50,51)/t35-/m0/s1
InChIKey
YZUXNRZPWYRMGH-DHUJRADRSA-N
Synonyms
tBuO-Ste-Glu(AEEA-AEEA-OH)-OtBu DVN2QPW6DR RefChem:1099409 (S)-22-(tert-Butoxycarbonyl)-43,43-dimethyl-10,19,24,41-tetraoxo-3,6,12,15,42-pentaoxa-9,18,23-triazatetratetracontanoic acid (S)-22-(Tert-butoxycarbonyl)-10,19,24-trioxo-3,6,12,15-tetraoxa-9,18,23-triazahentetracontane-1,41-dioic acid

Computed Properties

Structural Parameters

Heavy atom count
59
Fraction Csp3
0.86
Rotatable bonds
38
H-bond acceptors
12
H-bond donors
4
Molar refractivity
223.66
TPSA
214.12

LogP / Solubility

WLOGP
5.56
MLOGP
4.97
XLogP3
6.4
Consensus LogP
5.64
Log S (ESOL)
-6.08
Class (ESOL)
Insoluble
Log S (Ali)
-10.51
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.33
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)
-3.93

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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