CAS RN: 1287372-60-4
(S)-SpiroAP
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.20260302 | 10mg / 50mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1287372-60-4
- Purity/Analytical Methods: >99.0%
1287372-60-4 / (3S)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-3,3'-spirobi[1,2-dihydroindene]-4-amine
Basic Information
CAS
1287372-60-4
Multi CAS
No
Molecular Formula
C45H58NP
Molecular Weight
643.900000
Exact Mass
643.430688
SMILES
CC(C)(C)C1=CC(=CC(=C1)P(C2=CC=CC3=C2[C@@]4(CCC5=C4C(=CC=C5)N)CC3)C6=CC(=CC(=C6)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C45H58NP/c1-41(2,3)31-23-32(42(4,5)6)26-35(25-31)47(36-27-33(43(7,8)9)24-34(28-36)44(10,11)12)38-18-14-16-30-20-22-45(40(30)38)21-19-29-15-13-17-37(46)39(29)45/h13-18,23-28H,19-22,46H2,1-12H3/t45-/m0/s1
InChIKey
CLVXRNAJDUYJJS-GWHBCOKCSA-N
Computed Properties
Structural Parameters
Heavy atom count
47
Aromatic heavy atom count
24
Fraction Csp3
0.47
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
208.22
TPSA
26.02
LogP / Solubility
WLOGP
10.4
MLOGP
9.2
XLogP3
13.5
Consensus LogP
11.03
Log S (ESOL)
-10.56
Class (ESOL)
Insoluble
Log S (Ali)
-12.35
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.83
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.73
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
Customers Also Viewed
-
N-acetyl lysyltyrosylcysteine amide(Myeloperoxidase inhibitor KYC)
- CAS RN: 1287585-40-3
- Product Code: starshine_CAS1287585-40-3
- Purity/Analytical method: >99.0%
-
-
-
4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrazole-3-carboxylic acid
- CAS RN: 1287670-05-6
- Product Code: starshine_CAS1287670-05-6
- Purity/Analytical method: >99.0%
-
4-Bromo-3-methyl-1H-pyrazole-5-carbaldehyde
- CAS RN: 1287752-82-2
- Product Code: SSC-035949
-
2-(1-Butyn-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
- CAS RN: 1287752-88-8
- Product Code: SSC-035951
![CAS 1287670-05-6 4-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrazole-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1287670-05-6.gif)
