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: 0.1g, 0.25g, 1g, 5g, 10g, 25g, 100g
- Available purity: >97%
- Inventory rows with stock: 7
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >97% | 1 In Stock | Shanghai | Inquiry |
| 1g | >97% | 1 In Stock | Shenzhen | Inquiry |
| 5g | >97% | 1 In Stock | Shanghai | Inquiry |
| 10g | >97% | 1 In Stock | Shanghai | Inquiry |
| 25g | >97% | 1 In Stock | Hong Kong | Inquiry |
| 100g | >97% | 1 In Stock | Shanghai | Inquiry |
72849-35-5 / 18-methoxy-18-oxooctadecanoic acid
Basic Information
CAS
72849-35-5
Multi CAS
Yes
Molecular Formula
C19H36O4
Molecular Weight
328.500000
Exact Mass
328.261360
InChI
InChI=1S/C19H36O4/c1-23-19(22)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18(20)21/h2-17H2,1H3,(H,20,21)
InChIKey
RHRXFESGFLYUHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.89
Rotatable bonds
17
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.52
TPSA
63.6
LogP / Solubility
WLOGP
5.49
MLOGP
4.84
XLogP3
6.8
Consensus LogP
5.71
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.21
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.39
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-0.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
ETHYL 2-CHLORO-4-(TRIFLUOROMETHYL)-1,3-THIAZOLE-5-CARBOXYLATE
- CAS RN: 72850-52-3
- Product Code: SSC-182344
-
2-CHLORO-4-(TRIFLUOROMETHYL)THIAZOLE-5-CARBOXYLIC ACID
- CAS RN: 72850-61-4
- Product Code: SSC-182345
-
5-Thiazolecarboxylicacid,2-amino-4-ethyl-,ethylester(9CI)
- CAS RN: 72850-74-9
- Product Code: SSC-182346
-
2-Amino-4-isopropyl-thiazole-5- carboxylic acid ethyl ester
- CAS RN: 72850-76-1
- Product Code: SSC-182347
