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 |
1100394-71-5 / 2-bromo-4-methoxy-6-methylaniline
2-bromo-4-methoxy-6-methylaniline | MFCD28098569 | SCHEMBL12290391
Basic Information
CAS
1100394-71-5
Multi CAS
No
Molecular Formula
C8H10BrNO
Molecular Weight
216.070000
Exact Mass
214.994580
SMILES
CC1=CC(=CC(=C1N)Br)OC
InChI
InChI=1S/C8H10BrNO/c1-5-3-6(11-2)4-7(9)8(5)10/h3-4H,10H2,1-2H3
InChIKey
HCOQQRSOSIHZAS-UHFFFAOYSA-N
Synonyms
2-bromo-4-methoxy-6-methylaniline
MFCD28098569
SCHEMBL12290391
SCHEMBL30052666
2-bromo-4-methoxy-6-methyl-aniline
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
49.84
TPSA
35.25
LogP / Solubility
WLOGP
2.35
MLOGP
2.07
XLogP3
2.3
Consensus LogP
2.24
Log S (ESOL)
-3
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.13
Class (SILICOS-IT)
Poorly 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)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
5-broMo-2-Methyl-3,4-dihydroisoquinolin-1(2H)-one
- CAS RN: 1100509-38-3
- Product Code: SSC-011307
-
(R)-1-(2-Chloro-6-fluorophenyl)ethanaMine hydrochloride
- CAS RN: 1100575-44-7
- Product Code: SSC-011308
-
-
BenzeneMethanol, 3-[5-[(1-Methyl-4-piperidinyl)Methoxy]-2-pyriMidinyl]-
- CAS RN: 1100598-48-8
- Product Code: SSC-011311
-
5-broMo-2-(3-(chloroMethyl)phenyl)pyriMidine
- CAS RN: 1100598-50-2
- Product Code: SSC-011312
![CAS 1100598-48-8 BenzeneMethanol, 3-[5-[(1-Methyl-4-piperidinyl)Methoxy]-2-pyriMidinyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1100598-48-8.gif)
