CAS RN: 2380273-26-5
(2S,4S)-1-((S)-2-Amino-3,3-dimethylbutanoyl)-4-hydroxy-N-((S)-1-(4-(4-methylthiazol-5-yl)phenyl)ethyl)pyrrolidine-2-carboxamide hydrochloride
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250714 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250619 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20260616 | 1g | In stock | Shanghai, Shenzhen | Inquiry | |
| Batchno.20260518 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260624 | 5g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS2380273-26-5
- Purity/Analytical Methods: >99.0%
2380273-26-5 / (2S,4S)-1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
Basic Information
CAS
2380273-26-5
Multi CAS
No
Molecular Formula
C23H33ClN4O3S
Molecular Weight
481.100000
Exact Mass
480.196190
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@@H](CN3C(=O)[C@H](C(C)(C)C)N)O.Cl
InChI
InChI=1S/C23H32N4O3S.ClH/c1-13(15-6-8-16(9-7-15)19-14(2)25-12-31-19)26-21(29)18-10-17(28)11-27(18)22(30)20(24)23(3,4)5;/h6-9,12-13,17-18,20,28H,10-11,24H2,1-5H3,(H,26,29);1H/t13-,17-,18-,20+;/m0./s1
InChIKey
GHFOLQCCYGBOTL-PDPTUTRWSA-N
Computed Properties
Structural Parameters
Heavy atom count
32
Aromatic heavy atom count
11
Fraction Csp3
0.52
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
3
Molar refractivity
129.65
TPSA
108.55
LogP / Solubility
WLOGP
3.05
MLOGP
2.72
XLogP3
3.05
Consensus LogP
2.94
Log S (ESOL)
-4.67
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.71
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.92
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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