CAS RN: 1333493-13-2
(R)-4-(7-Ethyl-8-isopropyl-5-Methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylaMino)-3-Methoxy-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.20250711 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-040043
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 |
1333493-13-2 / 4-[[(7R)-7-ethyl-5-methyl-6-oxo-8-propan-2-yl-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid
Basic Information
CAS
1333493-13-2
Multi CAS
No
Molecular Formula
C20H25N5O4
Molecular Weight
399.400000
Exact Mass
399.190654
SMILES
CC[C@@H]1C(=O)N(C2=CN=C(N=C2N1C(C)C)NC3=C(C=C(C=C3)C(=O)O)OC)C
InChI
InChI=1S/C20H25N5O4/c1-6-14-18(26)24(4)15-10-21-20(23-17(15)25(14)11(2)3)22-13-8-7-12(19(27)28)9-16(13)29-5/h7-11,14H,6H2,1-5H3,(H,27,28)(H,21,22,23)/t14-/m1/s1
InChIKey
QNLSHJVWZNHSED-CQSZACIVSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
12
Fraction Csp3
0.4
Rotatable bonds
6
H-bond acceptors
7
H-bond donors
2
Molar refractivity
110.37
TPSA
107.89
LogP / Solubility
WLOGP
2.9
MLOGP
2.57
XLogP3
2.9
Consensus LogP
2.79
Log S (ESOL)
-4.05
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.93
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.38
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)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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