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 |
70132-87-5 / (2-chloro-5-nitrophenyl)-(4-methoxyphenyl)methanone
Basic Information
CAS
70132-87-5
Multi CAS
Yes
Molecular Formula
C14H10CLNO4
Molecular Weight
291.680000
Exact Mass
291.029836
InChI
InChI=1S/C14H10ClNO4/c1-20-11-5-2-9(3-6-11)14(17)12-8-10(16(18)19)4-7-13(12)15/h2-8H,1H3
InChIKey
XOLMZHQBAOKBSS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
74.53
TPSA
69.44
LogP / Solubility
WLOGP
3.49
MLOGP
3.08
XLogP3
3.7
Consensus LogP
3.42
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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(-)-(2R,5R)-2,5-DIMETHYLPYRROLIDINE, HYDROCHLORIDE
- CAS RN: 70144-18-2
- Product Code: starshine_CAS70144-18-2
- Purity/Analytical method: >99.0%
-
Cyclohexanecarboxylic acid, 3-hydroxy-, methyl ester, (1R,3S)-
- CAS RN: 70144-91-1
- Product Code: SSC-179960
