![CAS 1016636-76-2 6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1016636-76-2.gif)
CAS RN: 1016636-76-2
6-broMo-2-chloro-8-cyclopentyl-5-Methylpyrido[2,3-d]pyriMidin-7(8H)-one
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260413 | 1g / 5g / 25g / 100g | Confirm by inquiry | Shanghai, Shandong, Guangdong | 8-10 business days | Inquiry |
- Product code: SSC-002503
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 5g, 10g, 1g, 25g, 100g, 500g
- Available purity: ≥97%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 5g | ≥97% | 5 In Stock | Shanghai | Inquiry |
| 10g | ≥97% | 5 In Stock | Shenzhen | Inquiry |
| 1g | ≥97% | 4 In Stock | Beijing | Inquiry |
| 25g | ≥97% | 4 In Stock | Shenzhen | Inquiry |
| 100g | ≥97% | 0 Out of Stock | Shenzhen | Inquiry |
| 500g | ≥97% | 0 Out of Stock | Shanghai | Inquiry |
1016636-76-2 / 6-bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7-one
6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one | Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl- | 6SDD8U5F6G
Basic Information
CAS
1016636-76-2
Multi CAS
No
Molecular Formula
C13H13BrClN3O
Molecular Weight
342.620000
Exact Mass
340.993050
SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)Cl)C3CCCC3)Br
InChI
InChI=1S/C13H13BrClN3O/c1-7-9-6-16-13(15)17-11(9)18(12(19)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKey
HJQCAEDIUJXGCQ-UHFFFAOYSA-N
Synonyms
6-Bromo-2-chloro-8-cyclopentyl-5-methylpyrido[2,3-d]pyrimidin-7(8H)-one
Pyrido[2,3-d]pyrimidin-7(8H)-one, 6-bromo-2-chloro-8-cyclopentyl-5-methyl-
6SDD8U5F6G
DTXSID10658036
6-Bromo-2-chloro-8-cyclopentyl-5-methyl-8H-pyrido(2,3-d)pyrimidin-7-one
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.46
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
78.75
TPSA
47.78
LogP / Solubility
WLOGP
3.63
MLOGP
3.21
XLogP3
3.2
Consensus LogP
3.35
Log S (ESOL)
-4.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.99
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Acute Toxic
Irritant
Health Hazard
Signal
Danger
GHS Hazard Statements
H301 (16.7%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (33.3%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H334 (33.3%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory]
Precautionary Statement Codes
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501
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