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 | Hong Kong | Inquiry |
7495-24-1 / 2-bromo-1-(3,4-dichlorophenyl)ethanol
Basic Information
CAS
7495-24-1
Multi CAS
No
Molecular Formula
C8H7BRCL2O
Molecular Weight
269.950000
Exact Mass
267.905730
InChI
InChI=1S/C8H7BrCl2O/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,12H,4H2
InChIKey
ZFMARCNWWLHGAZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
55.22
TPSA
20.23
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.7
Consensus LogP
3.38
Log S (ESOL)
-3.91
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.24
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.49
Class (SILICOS-IT)
Slightly 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)
-1.94
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
-
p-tolyl propionate
- CAS RN: 7495-84-3
- Product Code: starshine_CAS7495-84-3
- Purity/Analytical method: >99.0%
-
-
6-METHYL-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOL-2-AMINE HYDROCHLORIDE
- CAS RN: 7496-50-6
- Product Code: SSC-184425
-
-
