CAS RN: 152684-53-2
TLK117
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.20251014 | 5mg / 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS152684-53-2
- Purity/Analytical Methods: >99.0%
152684-53-2 / (2S)-2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(R)-carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Basic Information
CAS
152684-53-2
Multi CAS
No
Molecular Formula
C23H27N3O6S
Molecular Weight
473.500000
Exact Mass
473.162057
SMILES
C1=CC=C(C=C1)CSC[C@@H](C(=O)N[C@H](C2=CC=CC=C2)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
InChI
InChI=1S/C23H27N3O6S/c24-17(22(29)30)11-12-19(27)25-18(14-33-13-15-7-3-1-4-8-15)21(28)26-20(23(31)32)16-9-5-2-6-10-16/h1-10,17-18,20H,11-14,24H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)/t17-,18-,20+/m0/s1
InChIKey
ZPSKWMFLCHMEOY-CMKODMSKSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.3
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
5
Molar refractivity
124.34
TPSA
158.82
LogP / Solubility
WLOGP
1.54
MLOGP
1.39
XLogP3
-0.9
Consensus LogP
0.68
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
hemorphin 7
- CAS RN: 152685-85-3
- Product Code: starshine_CAS152685-85-3
- Purity/Analytical method: >99.0%
-
cimiside B
- CAS RN: 152685-91-1
- Product Code: starshine_CAS152685-91-1
- Purity/Analytical method: >99.0%
-
-
-
-
