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: 0.25g, 5g, 10g, 1g, 0.1g, 25g
- Available purity: ≥95%
- Inventory rows with stock: 6
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 3 In Stock | Shanghai | Inquiry |
| 5g | ≥95% | 3 In Stock | Shenzhen | Inquiry |
| 10g | ≥95% | 3 In Stock | Beijing | Inquiry |
| 1g | ≥95% | 2 In Stock | Hong Kong | Inquiry |
| 0.1g | ≥95% | 1 In Stock | Hong Kong | Inquiry |
| 25g | ≥95% | 1 In Stock | Beijing | Inquiry |
26825-95-6 / methyl 12-bromododecanoate
Basic Information
CAS
26825-95-6
Multi CAS
No
Molecular Formula
C13H25BrO2
Molecular Weight
293.240000
Exact Mass
292.103790
SMILES
COC(=O)CCCCCCCCCCCBr
InChI
InChI=1S/C13H25BrO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3
InChIKey
QNXOHINFQALBQN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.92
Rotatable bonds
11
H-bond acceptors
2
Molar refractivity
71.98
TPSA
26.3
LogP / Solubility
WLOGP
4.46
MLOGP
3.93
XLogP3
5.1
Consensus LogP
4.5
Log S (ESOL)
-3.74
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.58
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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4-Chloro-5,6,7,8-tetrahydro-7-methyl-pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine
- CAS RN: 26830-29-5
- Product Code: starshine_CAS26830-29-5
- Purity/Analytical method: >99.0%
-
Pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-methyl-, monohydrochloride
- CAS RN: 26830-30-8
- Product Code: starshine_CAS26830-30-8
- Purity/Analytical method: >99.0%
-
![CAS 26830-29-5 4-Chloro-5,6,7,8-tetrahydro-7-methyl-pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26830-29-5.gif)
![CAS 26830-30-8 Pyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine, 4-chloro-5,6,7,8-tetrahydro-7-methyl-, monohydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/26830-30-8.gif)
