![CAS 1009298-69-4 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1009298-69-4.gif)
CAS RN: 1009298-69-4
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
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.20250114 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-001679
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 | Shanghai | Inquiry |
1009298-69-4 / 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid | MFCD32174207 | 3-(2,4-Bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)benzoic acid
Basic Information
CAS
1009298-69-4
Multi CAS
Yes
Molecular Formula
C24H27N5O4
Molecular Weight
449.500000
Exact Mass
449.206304
SMILES
C[C@H]1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=CC=C4)C(=O)O)N5CCOC[C@@H]5C
InChI
InChI=1S/C24H27N5O4/c1-15-13-32-10-8-28(15)22-19-6-7-20(17-4-3-5-18(12-17)23(30)31)25-21(19)26-24(27-22)29-9-11-33-14-16(29)2/h3-7,12,15-16H,8-11,13-14H2,1-2H3,(H,30,31)/t15-,16-/m0/s1
InChIKey
NGXAJVNTIQZDCB-HOTGVXAUSA-N
Synonyms
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]benzoic acid
MFCD32174207
3-(2,4-Bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin-7-yl)benzoic acid
3-[2,4-Bis[(S)-3-methylmorpholino]pyrido[2,3-d]pyrimidin-7-yl]benzoic Acid
starbld0049582
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
16
Fraction Csp3
0.42
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
1
Molar refractivity
124.98
TPSA
100.91
LogP / Solubility
WLOGP
2.84
MLOGP
2.53
XLogP3
3
Consensus LogP
2.79
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.42
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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