CAS RN: 209248-71-5
Diprotin A TFA (Synonyms: Ile-Pro-Pro (TFA))
Product Availability
Choose a grade to view its available package options.
7 package records7 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250104 | 5mg / 10mg / 50mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS209248-71-5
- Purity/Analytical Methods: >99.0%
209248-71-5 / (2S,3S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid;2,2,2-trifluoroacetic acid
Basic Information
CAS
209248-71-5
Multi CAS
No
Molecular Formula
C19H32F3N3O6
Molecular Weight
455.500000
Exact Mass
455.224320
SMILES
CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)N.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C17H31N3O4.C2HF3O2/c1-5-10(3)13(18)16(22)20-9-7-8-12(20)15(21)19-14(17(23)24)11(4)6-2;3-2(4,5)1(6)7/h10-14H,5-9,18H2,1-4H3,(H,19,21)(H,23,24);(H,6,7)/t10-,11-,12-,13-,14-;/m0./s1
InChIKey
KAUYVJOUHGUZNN-BABXMESMSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Fraction Csp3
0.79
Rotatable bonds
8
H-bond acceptors
5
H-bond donors
4
Molar refractivity
104.88
TPSA
150.03
LogP / Solubility
WLOGP
1.6
MLOGP
1.44
XLogP3
1.6
Consensus LogP
1.55
Log S (ESOL)
-3.14
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.45
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.91
Class (SILICOS-IT)
Slightly soluble
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)
-4.36
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
5
Customers Also Viewed
-
![CAS 2092-49-1 6,6′-DIHYDROXY-5,5′-DIMETHOXY-[1,1′-BIPHENYL]-3,3′-DICARBOXALDEHYDE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
6,6′-DIHYDROXY-5,5′-DIMETHOXY-[1,1′-BIPHENYL]-3,3′-DICARBOXALDEHYDE
- CAS RN: 2092-49-1
- Product Code: SSC-098871
-
-
-
Fmoc-L-beta-glutamic acid 5-tert-butyl ester
- CAS RN: 209252-17-5
- Product Code: SSC-098995
-
-
(7β,11α,17α)-9,11-Epoxy-17-hydroxy-3-oxo-pregn-4-ene-7,21-dicarboxylic Acid γ-Lactone Methyl Ester
- CAS RN: 209253-81-6
- Product Code: starshine_CAS209253-81-6
- Purity/Analytical method: >99.0%
![CAS 2092-49-1 6,6′-DIHYDROXY-5,5′-DIMETHOXY-[1,1′-BIPHENYL]-3,3′-DICARBOXALDEHYDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2092-49-1.gif)
