CAS RN: 145158-71-0
Tegaserod
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260411 | 5mg / 25mg / 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS145158-71-0
- Purity/Analytical Methods: >99.0%
145158-71-0 / 1-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-2-pentylguanidine
Basic Information
CAS
145158-71-0
Multi CAS
No
Molecular Formula
C16H23N5O
Molecular Weight
301.390000
Exact Mass
301.190260
SMILES
CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC
InChI
InChI=1S/C16H23N5O/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21)/b20-11+
InChIKey
IKBKZGMPCYNSLU-RGVLZGJSSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
9
Fraction Csp3
0.38
Rotatable bonds
7
H-bond acceptors
3
H-bond donors
3
Molar refractivity
91.59
TPSA
87.79
LogP / Solubility
WLOGP
2.6
MLOGP
2.3
XLogP3
2.6
Consensus LogP
2.5
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.91
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.62
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
1H-Pyrrole-2-carboxylicacid,3-amino-4-cyano-1-methyl-,ethylester(9CI)
- CAS RN: 145162-36-3
- Product Code: starshine_CAS145162-36-3
- Purity/Analytical method: >99.0%
-
3beta-Hydroxyporiferast-5-en-7-one
- CAS RN: 145163-97-9
- Product Code: starshine_CAS145163-97-9
- Purity/Analytical method: >99.0%
-
Cycloheptanol, 2-amino-, (1S,2S)- (9CI)
- CAS RN: 145166-04-7
- Product Code: starshine_CAS145166-04-7
- Purity/Analytical method: >99.0%
-
tert-Butyl N-((2S,1S)-2-hydroxycyclohexyl)carbamate
- CAS RN: 145166-06-9
- Product Code: SSC-056566
-
(S)-1-BROMO-4-(METHYLSULFINYL)BENZENE
- CAS RN: 145166-15-0
- Product Code: starshine_CAS145166-15-0
- Purity/Analytical method: >99.0%
-
