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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
1420034-40-7 / 5-bromo-2-methoxy-1H-pyridin-4-one
Basic Information
CAS
1420034-40-7
Multi CAS
No
Molecular Formula
C6H6BrNO2
Molecular Weight
204.020000
Exact Mass
202.958190
SMILES
COC1=CC(=O)C(=CN1)Br
InChI
InChI=1S/C6H6BrNO2/c1-10-6-2-5(9)4(7)3-8-6/h2-3H,1H3,(H,8,9)
InChIKey
XWVMFMZVTCXEMA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.31
TPSA
42.09
LogP / Solubility
WLOGP
1.15
MLOGP
1.01
XLogP3
1.2
Consensus LogP
1.12
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.06
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.06
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
4-Chloro-5-fluoro-1H-indazole
- CAS RN: 1420068-88-7
- Product Code: starshine_CAS1420068-88-7
- Purity/Analytical method: >99.0%
-
LAS191859
- CAS RN: 1420071-13-1
- Product Code: starshine_CAS1420071-13-1
- Purity/Analytical method: >99.0%
-
1H-Isoindole-1,3(2H)-dione, 5-[5-[[3-(4-broMophenyl)-2-iMino-4-oxo-5-thiazolidinylidene]Methyl]-2-furanyl]-
- CAS RN: 1420071-30-2
- Product Code: SSC-052698
-
-
BT-IDT-nC6
- CAS RN: 1420071-65-3
- Product Code: starshine_CAS1420071-65-3
- Purity/Analytical method: >99.0%
-
tert-butyl spiro[2.3]hexane-5-ylcarbamate
- CAS RN: 1420270-95-6
- Product Code: starshine_CAS1420270-95-6
- Purity/Analytical method: >99.0%
![CAS 1420071-30-2 1H-Isoindole-1,3(2H)-dione, 5-[5-[[3-(4-broMophenyl)-2-iMino-4-oxo-5-thiazolidinylidene]Methyl]-2-furanyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420071-30-2.gif)
.gif)
![CAS 1420270-95-6 tert-butyl spiro[2.3]hexane-5-ylcarbamate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1420270-95-6.gif)