CAS RN: 1110772-22-9
(1R,3S)-3-AMINOCYCLOHEXANOL
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.20250405 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-011954
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1110772-22-9 / cis-(1R,3S)-3-aminocyclohexan-1-ol
3-aminocyclohexanol | RefChem:497731 | 805-006-4
Basic Information
CAS
1110772-22-9
Multi CAS
Yes
Molecular Formula
C6H13NO
Molecular Weight
115.170000
Exact Mass
115.099714
SMILES
C1C[C@@H](C[C@@H](C1)O)N
InChI
InChI=1S/C6H13NO/c7-5-2-1-3-6(8)4-5/h5-6,8H,1-4,7H2/t5-,6+/m0/s1
InChIKey
NIQIPYGXPZUDDP-NTSWFWBYSA-N
Synonyms
3-aminocyclohexanol
RefChem:497731
805-006-4
3-Amino-cyclohexanol
3-aminocyclohexan-1-ol
Computed Properties
Structural Parameters
Heavy atom count
8
Fraction Csp3
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
32.45
TPSA
46.25
LogP / Solubility
WLOGP
0.25
MLOGP
0.21
XLogP3
-0.1
Consensus LogP
0.12
Log S (ESOL)
-0.71
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.61
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.25
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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