CAS RN: 1125758-85-1
A 804598
Product Availability
Choose a grade to view its available package options.
11 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260203 | 10mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20251231 | 1mg | In stock | Shanghai, Tianjin, Wuhan | Inquiry |
| Batchno.20260418 | 25mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250401 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20250911 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20250530 | 5mg | In stock | Shanghai, Wuhan | Inquiry |
| Batchno.20250902 | 5mg | In stock | Shanghai, Chongqing | Inquiry |
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250324 | 1ml | In stock | Inquiry |
- Product code: starshine_CAS1125758-85-1
- Purity/Analytical Methods: >99.0%
1125758-85-1 / 1-cyano-2-[(1S)-1-phenylethyl]-3-quinolin-5-ylguanidine
A-804598 | A804598 | 1-cyano-2-((1S)-1-phenylethyl)-3-(quinolin-5-yl)guanidine
Basic Information
CAS
1125758-85-1
Multi CAS
Yes
Molecular Formula
C19H17N5
Molecular Weight
315.400000
Exact Mass
315.148396
SMILES
C[C@@H](C1=CC=CC=C1)N=C(NC#N)NC2=CC=CC3=C2C=CC=N3
InChI
InChI=1S/C19H17N5/c1-14(15-7-3-2-4-8-15)23-19(22-13-20)24-18-11-5-10-17-16(18)9-6-12-21-17/h2-12,14H,1H3,(H2,22,23,24)/t14-/m0/s1
InChIKey
PQYCRDPLPKGSME-AWEZNQCLSA-N
Synonyms
A-804598
A804598
1-cyano-2-((1S)-1-phenylethyl)-3-(quinolin-5-yl)guanidine
1-cyano-2-[(1S)-1-phenylethyl]-3-(quinolin-5-yl)guanidine
RefChem:108426
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
96.41
TPSA
73.1
LogP / Solubility
WLOGP
3.83
MLOGP
3.39
XLogP3
4
Consensus LogP
3.74
Log S (ESOL)
-4.51
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501
Customers Also Viewed
-
SKLB 610
- CAS RN: 1125780-41-7
- Product Code: starshine_CAS1125780-41-7
- Purity/Analytical method: >99.0%
-
1-[3-Chloro-5-trifluoromethylphenyl]-2,2,2-trifluoroethanone
- CAS RN: 1125812-58-9
- Product Code: SSC-012942
-
1H-Pyrazole, 1-(2-bromo-5-chlorophenyl)-5-methyl-
- CAS RN: 1125828-28-5
- Product Code: starshine_CAS1125828-28-5
- Purity/Analytical method: >99.0%
-
1-(4-Chloro-2-(3-Methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanone
- CAS RN: 1125828-30-9
- Product Code: SSC-012943
-
isoMogroside V
- CAS RN: 1126032-65-2
- Product Code: starshine_CAS1126032-65-2
- Purity/Analytical method: >99.0%
-
ASP-9521
- CAS RN: 1126084-37-4
- Product Code: starshine_CAS1126084-37-4
- Purity/Analytical method: >99.0%
![CAS 1125812-58-9 1-[3-Chloro-5-trifluoromethylphenyl]-2,2,2-trifluoroethanone molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1125812-58-9.gif)
