CAS RN: 163847-77-6
TAPI-1
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.20251006 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS163847-77-6
- Purity/Analytical Methods: >99.0%
163847-77-6 / (2R)-N-[(2S)-1-[[(2S)-1-(2-aminoethylamino)-1-oxopropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
Basic Information
CAS
163847-77-6
Multi CAS
No
Molecular Formula
C26H37N5O5
Molecular Weight
499.600000
Exact Mass
499.279469
SMILES
C[C@@H](C(=O)NCCN)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(C)C)CC(=O)NO
InChI
InChI=1S/C26H37N5O5/c1-16(2)12-21(15-23(32)31-36)25(34)30-22(26(35)29-17(3)24(33)28-11-10-27)14-18-8-9-19-6-4-5-7-20(19)13-18/h4-9,13,16-17,21-22,36H,10-12,14-15,27H2,1-3H3,(H,28,33)(H,29,35)(H,30,34)(H,31,32)/t17-,21+,22-/m0/s1
InChIKey
AWNBSWDIOCXWJW-WTOYTKOKSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
10
Fraction Csp3
0.46
Rotatable bonds
13
H-bond acceptors
6
H-bond donors
6
Molar refractivity
136.74
TPSA
162.65
LogP / Solubility
WLOGP
1
MLOGP
0.92
XLogP3
1.3
Consensus LogP
1.07
Log S (ESOL)
-2.92
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.3
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5
Customers Also Viewed
-
-
2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI)
- CAS RN: 163852-55-9
- Product Code: SSC-071237
-
-
(1R,2R)-ethyl 2-((R)-1-phenylethylaMino)cyclopentanecarboxylate hydrochloride
- CAS RN: 163877-11-0
- Product Code: SSC-071450
-
(2R,3R,4R,5R)-2-((BIS(4-METHOXYPHENYL)(PHENYL)METHOXY)METHYL)-4-(2-METHOXYETHOXY)-5-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)TETRAHYDROFURAN-3-YL 2-CYANOETHYL DIISOPROPYLPHOSPHORAMIDITE
- CAS RN: 163878-63-5
- Product Code: SSC-071483
-
![CAS 163852-55-9 2-Butynoicacid,4-[[(1,1-dimethylethoxy)carbonyl]amino]-,methylester(9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/163852-55-9.gif)
