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: 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
123266-51-3 / methyl 7-bromo-3-methoxynaphthalene-2-carboxylate
Basic Information
CAS
123266-51-3
Multi CAS
No
Molecular Formula
C13H11BrO3
Molecular Weight
295.130000
Exact Mass
293.989160
SMILES
COC1=C(C=C2C=C(C=CC2=C1)Br)C(=O)OC
InChI
InChI=1S/C13H11BrO3/c1-16-12-7-8-3-4-10(14)5-9(8)6-11(12)13(15)17-2/h3-7H,1-2H3
InChIKey
RDTGKUXAFSMVJE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.15
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
69.54
TPSA
35.53
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.7
Consensus LogP
3.37
Log S (ESOL)
-4.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.43
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.64
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
7-broMo-3-Methoxy-2-naphthoic acid
- CAS RN: 123266-62-6
- Product Code: starshine_CAS123266-62-6
- Purity/Analytical method: >99.0%
-
4′-methoxyagarotetrol
- CAS RN: 123278-01-3
- Product Code: starshine_CAS123278-01-3
- Purity/Analytical method: >99.0%
-
-
-
(2S,3S)-α2,α2,α3,α3-tetraphenyl-1,4-Dioxaspiro[4.5]decane-2,3-diMethanol
- CAS RN: 123287-35-4
- Product Code: SSC-026928
-
![CAS 123287-35-4 (2S,3S)-α2,α2,α3,α3-tetraphenyl-1,4-Dioxaspiro[4.5]decane-2,3-diMethanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/123287-35-4.gif)
