[email protected]
CAS 1188328-39-3 Octa(OtBu)-Glu-OtBu molecular structure lightbox
CAS RN: 1188328-39-3

Octa(OtBu)-Glu-OtBu

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260429 1g / 5g / 10g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-019057
GET A QUOTE
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: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1188328-39-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Beijing Inquiry
10g ＞97% 0 Out of Stock Shenzhen Inquiry

1188328-39-3 / (4S)-5-[(2-methylpropan-2-yl)oxy]-4-[[18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoyl]amino]-5-oxopentanoic acid

Octa(OtBu)-Glu-OtBu | (S)-5-(tert-butoxy)-4-(18-(tert-butoxy)-18-oxooctadecanamido)-5-oxopentanoic acid | MFCD34566912

Standard CAS: 1188328-39-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1188328-39-3
Multi CAS
No
Molecular Formula
C31H57NO7
Molecular Weight
555.800000
Exact Mass
555.413503
SMILES
CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)OC(C)(C)C
InChI
InChI=1S/C31H57NO7/c1-30(2,3)38-28(36)22-20-18-16-14-12-10-8-7-9-11-13-15-17-19-21-26(33)32-25(23-24-27(34)35)29(37)39-31(4,5)6/h25H,7-24H2,1-6H3,(H,32,33)(H,34,35)/t25-/m0/s1
InChIKey
XKQUPBJUBPAMDO-VWLOTQADSA-N
Synonyms
Octa(OtBu)-Glu-OtBu (S)-5-(tert-butoxy)-4-(18-(tert-butoxy)-18-oxooctadecanamido)-5-oxopentanoic acid MFCD34566912 (4S)-5-tert-butoxy-4-[(18-tert-butoxy-18-oxo-octadecanoyl)amino]-5-oxo-pentanoic acid tBuO-Ste-Glu(OtBu)-OH

Computed Properties

Structural Parameters

Heavy atom count
39
Fraction Csp3
0.87
Rotatable bonds
22
H-bond acceptors
6
H-bond donors
2
Molar refractivity
154.36
TPSA
119

LogP / Solubility

WLOGP
7.26
MLOGP
6.43
XLogP3
8.3
Consensus LogP
7.33
Log S (ESOL)
-6.41
Class (ESOL)
Insoluble
Log S (Ali)
-9.36
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.94
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.96

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

Customers Also Viewed

Get In Touch

Contact Us