![CAS 2172819-73-5 L-Prolinamide, N-(4-carboxy-1-oxobutyl)-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172819-73-5.png)
CAS RN: 2172819-73-5
L-Prolinamide, N-(4-carboxy-1-oxobutyl)-3-methyl-L-valyl-4-hydroxy-N-[[4-(4-methyl-5-thiazolyl)phenyl]methyl]-, (4R)-
Product Availability
Choose a grade to view its available package options.
9 package records9 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250424 | 100mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260205 | 1g | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250517 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20250824 | 50mg | In stock | Shanghai, Chengdu | Inquiry |
- Product code: SSC-104776
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2172819-73-5 / 5-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Basic Information
CAS
2172819-73-5
Multi CAS
No
Molecular Formula
C27H36N4O6S
Molecular Weight
544.700000
Exact Mass
544.235556
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)CCCC(=O)O)O
InChI
InChI=1S/C27H36N4O6S/c1-16-23(38-15-29-16)18-10-8-17(9-11-18)13-28-25(36)20-12-19(32)14-31(20)26(37)24(27(2,3)4)30-21(33)6-5-7-22(34)35/h8-11,15,19-20,24,32H,5-7,12-14H2,1-4H3,(H,28,36)(H,30,33)(H,34,35)/t19-,20+,24-/m1/s1
InChIKey
FKGREQKARAJLQH-JXALWOEJSA-N
Computed Properties
Structural Parameters
Heavy atom count
38
Aromatic heavy atom count
11
Fraction Csp3
0.52
Rotatable bonds
10
H-bond acceptors
7
H-bond donors
4
Molar refractivity
143.13
TPSA
148.93
LogP / Solubility
WLOGP
2.48
MLOGP
2.23
XLogP3
2.1
Consensus LogP
2.27
Log S (ESOL)
-4.34
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.82
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.46
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5.5
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![CAS 2172852-92-3 3-[2-(2-Chloro-phenyl)-2-hydroxy-ethylamino]-3-methyl-butyric acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2172852-92-3.png)