CAS RN: 2374782-03-1
NTFAPI
Product Availability
Choose a grade to view its available package options.
6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250915 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260214 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251011 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20260218 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260423 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260420 | 5mg | In stock | Shanghai | Inquiry |
- Product code: SSC-115376
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2374782-03-1 / 2-[4-(carboxymethyl)-7-[2-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazin-1-yl]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid
Basic Information
CAS
2374782-03-1
Multi CAS
No
Molecular Formula
C36H47F2N9O8
Molecular Weight
771.800000
Exact Mass
771.351566
SMILES
C1CN(CCN1CCCOC2=CC3=C(C=CN=C3C=C2)C(=O)NCC(=O)N4CC(C[C@H]4C#N)(F)F)C(=O)CN5CCN(CCN(CC5)CC(=O)O)CC(=O)O
InChI
InChI=1S/C36H47F2N9O8/c37-36(38)19-26(20-39)47(25-36)31(48)21-41-35(54)28-4-5-40-30-3-2-27(18-29(28)30)55-17-1-6-42-13-15-46(16-14-42)32(49)22-43-7-9-44(23-33(50)51)11-12-45(10-8-43)24-34(52)53/h2-5,18,26H,1,6-17,19,21-25H2,(H,41,54)(H,50,51)(H,52,53)/t26-/m0/s1
InChIKey
XQARGGQZFNOLDH-SANMLTNESA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
10
Fraction Csp3
0.58
Rotatable bonds
14
H-bond acceptors
12
H-bond donors
3
Molar refractivity
192.48
TPSA
203.19
LogP / Solubility
WLOGP
-0.27
MLOGP
-0.17
XLogP3
-4.2
Consensus LogP
-1.55
Log S (ESOL)
-3.66
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.13
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.62
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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