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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
24063-28-3 / 4,6-dibromobenzene-1,3-dicarboxylic acid
Basic Information
CAS
24063-28-3
Multi CAS
No
Molecular Formula
C8H4Br2O4
Molecular Weight
323.920000
Exact Mass
323.845580
SMILES
C1=C(C(=CC(=C1C(=O)O)Br)Br)C(=O)O
InChI
InChI=1S/C8H4Br2O4/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2H,(H,11,12)(H,13,14)
InChIKey
ZIRYHOLKTROMQO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
55.76
TPSA
74.6
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
2.4
Consensus LogP
2.44
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.17
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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N-(2-CHLORO-PHENYL)-GUANIDINE HYDROCHLORIDE
- CAS RN: 24067-11-6
- Product Code: starshine_CAS24067-11-6
- Purity/Analytical method: >99.0%
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