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 |
316149-01-6 / 5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfinylphenyl)pyridine
Basic Information
CAS
316149-01-6
Multi CAS
No
Molecular Formula
C18H15CLN2OS
Molecular Weight
342.800000
Exact Mass
342.059362
InChI
InChI=1S/C18H15ClN2OS/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)23(2)22/h3-11H,1-2H3
InChIKey
SLXXLDBGJKCVGS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
94.98
TPSA
42.85
LogP / Solubility
WLOGP
4.51
MLOGP
3.99
XLogP3
3.2
Consensus LogP
3.9
Log S (ESOL)
-5.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.63
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.99
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
1,7-NAPHTHYRIDINE-2-CARBOXYLIC ACID
- CAS RN: 316155-87-0
- Product Code: starshine_CAS316155-87-0
- Purity/Analytical method: >99.0%
-
2-Oxiranemethanamine, N,N-bis(phenylmethyl)-, (2R)-
- CAS RN: 316157-42-3
- Product Code: SSC-137044
-
5-Chloro-6-oxo-1,6-dihydro-pyridine-3-carboxylic acid Methyl ester
- CAS RN: 316166-47-9
- Product Code: SSC-137046
-
2-(2-FURANYL)-7-[3-(4-METHOXYPHENYL)PROPYL]-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-AMINE
- CAS RN: 316173-57-6
- Product Code: starshine_CAS316173-57-6
- Purity/Analytical method: >99.0%
-
-
ROSIGLITAZONEPOTASSIUMSALT
- CAS RN: 316371-84-3
- Product Code: starshine_CAS316371-84-3
- Purity/Analytical method: >99.0%
![CAS 316173-57-6 2-(2-FURANYL)-7-[3-(4-METHOXYPHENYL)PROPYL]-7H-PYRAZOLO[4,3-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/316173-57-6.gif)
