CAS RN: 1703768-74-4
Vipivotide tetraxetan Linker
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.20260131 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-074922
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 | Shenzhen | Inquiry |
1703768-74-4 / (2S)-2-[[(1S)-5-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-1-carboxypentyl]carbamoylamino]pentanedioic acid
Basic Information
CAS
1703768-74-4
Multi CAS
No
Molecular Formula
C33H45N5O9
Molecular Weight
655.700000
Exact Mass
655.321728
SMILES
C1CC(CCC1CN)C(=O)N[C@@H](CC2=CC3=CC=CC=C3C=C2)C(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C33H45N5O9/c34-19-20-8-12-23(13-9-20)29(41)36-27(18-21-10-11-22-5-1-2-6-24(22)17-21)30(42)35-16-4-3-7-25(31(43)44)37-33(47)38-26(32(45)46)14-15-28(39)40/h1-2,5-6,10-11,17,20,23,25-27H,3-4,7-9,12-16,18-19,34H2,(H,35,42)(H,36,41)(H,39,40)(H,43,44)(H,45,46)(H2,37,38,47)/t20?,23?,25-,26-,27-/m0/s1
InChIKey
JHWCOTSIOATVKA-MOTXCXSHSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
10
Fraction Csp3
0.52
Rotatable bonds
18
H-bond acceptors
7
H-bond donors
8
Molar refractivity
172.33
TPSA
237.25
LogP / Solubility
WLOGP
1.99
MLOGP
1.81
XLogP3
-0.3
Consensus LogP
1.17
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.37
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.73
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.31
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
5.5
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