CAS RN: 24613-12-5
H-TRP-VAL-OH
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.20260117 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS24613-12-5
- Purity/Analytical Methods: >99.0%
24613-12-5 / (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoic acid
Basic Information
CAS
24613-12-5
Multi CAS
No
Molecular Formula
C16H21N3O3
Molecular Weight
303.360000
Exact Mass
303.158292
SMILES
CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)N
InChI
InChI=1S/C16H21N3O3/c1-9(2)14(16(21)22)19-15(20)12(17)7-10-8-18-13-6-4-3-5-11(10)13/h3-6,8-9,12,14,18H,7,17H2,1-2H3,(H,19,20)(H,21,22)/t12-,14-/m0/s1
InChIKey
LWFWZRANSFAJDR-JSGCOSHPSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
4
Molar refractivity
84.38
TPSA
108.21
LogP / Solubility
WLOGP
1.26
MLOGP
1.12
XLogP3
-1
Consensus LogP
0.46
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.96
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.4
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
![CAS 2461-34-9 1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE
- CAS RN: 2461-34-9
- Product Code: starshine_CAS2461-34-9
- Purity/Analytical method: >99.0%
-
-
-
-
-
4(1H)-Pyrimidinone, 5-hydroxy-2-methyl- (8CI,9CI)
- CAS RN: 24614-14-0
- Product Code: SSC-119501
![CAS 2461-34-9 1A,2,3,7B-TETRAHYDRO-1-OXA-CYCLOPROPA[A]NAPHTHALENE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2461-34-9.gif)
