![CAS 1160248-14-5 Benzyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyriMidine-6(5H)-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1160248-14-5.gif)
CAS RN: 1160248-14-5
Benzyl 2,4-dichloro-7,8-dihydropyrido[4,3-d]pyriMidine-6(5H)-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251212 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-016094
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 |
1160248-14-5 / benzyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
BENZYL 2,4-DICHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE | benzyl 2,4-dichloro-5h,6h,7h,8h-pyrido[4,3-d]pyrimidine-6-carboxylate | MFCD12198784
Basic Information
CAS
1160248-14-5
Multi CAS
No
Molecular Formula
C15H13Cl2N3O2
Molecular Weight
338.200000
Exact Mass
337.038482
SMILES
C1CN(CC2=C1N=C(N=C2Cl)Cl)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C15H13Cl2N3O2/c16-13-11-8-20(7-6-12(11)18-14(17)19-13)15(21)22-9-10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
CAGNGOFEMDPPNR-UHFFFAOYSA-N
Synonyms
BENZYL 2,4-DICHLORO-7,8-DIHYDROPYRIDO[4,3-D]PYRIMIDINE-6(5H)-CARBOXYLATE
benzyl 2,4-dichloro-5h,6h,7h,8h-pyrido[4,3-d]pyrimidine-6-carboxylate
MFCD12198784
Pyrido[4,3-d]pyrimidine-6(5H)-carboxylic acid, 2,4-dichloro-7,8-dihydro-, phenylmethyl ester
benzyl 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.27
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
82.79
TPSA
55.32
LogP / Solubility
WLOGP
3.48
MLOGP
3.08
XLogP3
3.4
Consensus LogP
3.32
Log S (ESOL)
-4.4
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.99
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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