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: 25g
- 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 |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
202925-05-1 / 1,3-dibromo-2-chloro-5-methylbenzene
Basic Information
CAS
202925-05-1
Multi CAS
No
Molecular Formula
C7H5Br2Cl
Molecular Weight
284.370000
Exact Mass
283.842600
SMILES
CC1=CC(=C(C(=C1)Br)Cl)Br
InChI
InChI=1S/C7H5Br2Cl/c1-4-2-5(8)7(10)6(9)3-4/h2-3H,1H3
InChIKey
HVPWZGWQKWAJMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.14
Molar refractivity
51.59
TPSA
0.0000
LogP / Solubility
WLOGP
4.17
MLOGP
3.68
XLogP3
4.3
Consensus LogP
4.05
Log S (ESOL)
-4.68
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble
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)
-1.49
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
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- CAS RN: 202925-92-6
- Product Code: SSC-095556
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