CAS RN: 229177-52-0
(1S-cis)-4-Amino-2-cyclopentene-1-methanol D-hydrogen tatrate
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.20250501 | 5g / 25g / 100g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS229177-52-0
- Purity/Analytical Methods: >99.0%
229177-52-0 / [(1S,4R)-4-aminocyclopent-2-en-1-yl]methanol;(2S,3S)-2,3-dihydroxybutanedioic acid
Basic Information
CAS
229177-52-0
Multi CAS
No
Molecular Formula
C10H17NO7
Molecular Weight
263.240000
Exact Mass
263.100502
SMILES
C1[C@@H](C=C[C@@H]1N)CO.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
InChI
InChI=1S/C6H11NO.C4H6O6/c7-6-2-1-5(3-6)4-8;5-1(3(7)8)2(6)4(9)10/h1-2,5-6,8H,3-4,7H2;1-2,5-6H,(H,7,8)(H,9,10)/t5-,6+;1-,2-/m10/s1
InChIKey
LTSTZOJHLZNDFG-ZGMNSGLWSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Fraction Csp3
0.6
Rotatable bonds
4
H-bond acceptors
6
H-bond donors
6
Molar refractivity
59.59
TPSA
161.31
LogP / Solubility
WLOGP
-2.24
MLOGP
-1.96
XLogP3
-2.24
Consensus LogP
-2.15
Log S (ESOL)
0.2
Class (ESOL)
Highly soluble
Log S (Ali)
-0.1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.01
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.92
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3.5
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- CAS RN: 229177-78-0
- Product Code: starshine_CAS229177-78-0
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(R)-(+)-2,2′-BIS(N-DIPHENYLPHOSPHINOAMINO)-5,5′,6,6′,7,7′,8,8′-OCTAHYDRO-1,1′-BINAPHTHYL
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![CAS 229177-78-0 (S)-5,5′,6,6′,7,7′,8,8′-Octahydro-[1,1′-binaphthalene]-2,2′-diamine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/229177-78-0.gif)
