CAS RN: 1169630-40-3
1169630-40-3
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250619 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-016777
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: 0.1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1169630-40-3 / 18-[[(1S)-1-carboxy-4-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]amino]-18-oxooctadecanoic acid
SCHEMBL2151921
Basic Information
CAS
1169630-40-3
Multi CAS
Yes
Molecular Formula
C39H66N4O15
Molecular Weight
831.000000
Exact Mass
830.452467
SMILES
C1CC(=O)N(C1=O)OC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C39H66N4O15/c44-32(18-17-31(39(52)53)42-33(45)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-37(49)50)40-21-23-54-25-27-56-29-34(46)41-22-24-55-26-28-57-30-38(51)58-43-35(47)19-20-36(43)48/h31H,1-30H2,(H,40,44)(H,41,46)(H,42,45)(H,49,50)(H,52,53)/t31-/m0/s1
InChIKey
DVGUZQKRMQLDDD-HKBQPEDESA-N
Synonyms
SCHEMBL2151921
Computed Properties
Structural Parameters
Heavy atom count
58
Fraction Csp3
0.79
Rotatable bonds
39
H-bond acceptors
13
H-bond donors
5
Molar refractivity
206.78
TPSA
262.5
LogP / Solubility
WLOGP
2.57
MLOGP
2.34
XLogP3
3.2
Consensus LogP
2.7
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.23
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.87
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)
-5.97
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
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Customers Also Viewed
-
Glycine, L-α-glutamylglycyl-L-threonyl-L-phenylalanyl-L-threonyl-L-seryl-L-α-aspartyl-L-valyl-L-seryl-L-seryl-L-tyrosyl-L-leucyl-L-α-glutamylglycyl-L-glutaminyl-L-alanyl-L-alanyl-L-lysyl-L-α-glutamyl-L-phenylalanyl-L-isoleucyl-L-alanyl-L-tryptophyl-L-leucyl-L-valyl-L-arginylglycyl-L-arginyl-
- CAS RN: 1169630-82-3
- Product Code: starshine_CAS1169630-82-3
- Purity/Analytical method: >99.0%
-
Pyrazolo[1,5-a]pyrimidine-3-boronic acid pinacol ester
- CAS RN: 1169690-88-3
- Product Code: SSC-016782
-
1-(6-bromopyridin-3-yl)-N,N-dimethylpiperidin-4-amine
- CAS RN: 1169698-77-4
- Product Code: SSC-016783
-
2-(Phenylmethyl)-2-azabicyclo-[3.1.1]heptane-1-carbonitrile
- CAS RN: 1169708-27-3
- Product Code: SSC-016787
-
2-Phenyl-1-[4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-benzoiMidazole
- CAS RN: 1169709-19-6
- Product Code: SSC-016788
-
![CAS 1169690-88-3 Pyrazolo[1,5-a]pyrimidine-3-boronic acid pinacol ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1169690-88-3.gif)
![CAS 1169708-27-3 2-(Phenylmethyl)-2-azabicyclo-[3.1.1]heptane-1-carbonitrile molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1169708-27-3.gif)
![CAS 1169709-19-6 2-Phenyl-1-[4-(4,4,5,5-tetraMethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-1H-benzoiMidazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1169709-19-6.gif)
