CAS RN: 133627-46-0
2-Chloro-N-(2-chloro-4-methyl-3-pyridyl)nicotinamide
Product Availability
Choose a grade to view its available package options.
3 package records3 with current stock1 grade group
- Product code: SSC-040520
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: ＞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 |
|---|---|---|---|---|
| 25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
133627-46-0 / 2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyridine-3-carboxamide
Basic Information
CAS
133627-46-0
Multi CAS
No
Molecular Formula
C12H9Cl2N3O
Molecular Weight
282.120000
Exact Mass
281.012267
SMILES
CC1=C(C(=NC=C1)Cl)NC(=O)C2=C(N=CC=C2)Cl
InChI
InChI=1S/C12H9Cl2N3O/c1-7-4-6-16-11(14)9(7)17-12(18)8-3-2-5-15-10(8)13/h2-6H,1H3,(H,17,18)
InChIKey
UVCHGYJPZGYMSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.18
TPSA
54.88
LogP / Solubility
WLOGP
3.34
MLOGP
2.95
XLogP3
2.9
Consensus LogP
3.06
Log S (ESOL)
-4.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.29
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.51
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.07
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
Customers Also Viewed
-
-
-
-
-
1,1′-[Biphenyl-4,4′-diylbis(methylene)]bis(4,4′-bipyridinium) Dibromide
- CAS RN: 2232875-70-4
- Product Code: SSC-108911
-
2-Bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine
- CAS RN: 49669-14-9
- Product Code: SSC-155893
![CAS 2232875-70-4 1,1′-[Biphenyl-4,4′-diylbis(methylene)]bis(4,4′-bipyridinium) Dibromide molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/b2279-jpgcontextbwfzdgvyfhjvb3r8ndqymjn8aw1hz2uvanblz3xootevagm5lzg5mjg4mtmynti2mzgvqjiynzkuanbnfgy0nda2zdbiymizmta0zwq4odayztrjm2e4ndllngrlyzc2ndm0zdhknjmzogrhmmq3zjc1nmmwztjhzwyxnmm.jpeg)
