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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 | Shenzhen | Inquiry |
73088-10-5 / dimethyl 2-(2-chloro-4-nitrophenyl)propanedioate
Basic Information
CAS
73088-10-5
Multi CAS
No
Molecular Formula
C11H10CLNO6
Molecular Weight
287.650000
Exact Mass
287.019665
InChI
InChI=1S/C11H10ClNO6/c1-18-10(14)9(11(15)19-2)7-4-3-6(13(16)17)5-8(7)12/h3-5,9H,1-2H3
InChIKey
SKVWJFVXCSQZLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
64.88
TPSA
95.74
LogP / Solubility
WLOGP
1.68
MLOGP
1.49
XLogP3
2.3
Consensus LogP
1.82
Log S (ESOL)
-2.65
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.13
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly 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)
-3.28
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
1.5
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1-METHYL-1,2,3,6-TETRAHYDROPYRIDINE HYDROCHLORIDE
- CAS RN: 73107-26-3
- Product Code: SSC-182580
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