CAS RN: 1055301-17-1
(1R,2R)-1,2-Di(naphthalen-1-yl)ethane-1,2-diamine Dihydrochloride
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.20260430 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-007255
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ＞95% | 0 Out of Stock | Shenzhen | Inquiry |
1055301-17-1 / (1R,2R)-1,2-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
(1R,2R)-1,2-Di(naphthalen-1-yl)ethane-1,2-diamine dihydrochloride | RefChem:393152 | 878-616-1
Basic Information
CAS
1055301-17-1
Multi CAS
Yes
Molecular Formula
C22H22Cl2N2
Molecular Weight
385.300000
Exact Mass
384.116004
SMILES
C1=CC=C2C(=C1)C=CC=C2[C@H]([C@@H](C3=CC=CC4=CC=CC=C43)N)N.Cl.Cl
InChI
InChI=1S/C22H20N2.2ClH/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)22(24)20-14-6-10-16-8-2-4-12-18(16)20;;/h1-14,21-22H,23-24H2;2*1H/t21-,22-;;/m1../s1
InChIKey
SHNGCXWOHADIKG-XZHZQXPNSA-N
Synonyms
(1R,2R)-1,2-Di(naphthalen-1-yl)ethane-1,2-diamine dihydrochloride
RefChem:393152
878-616-1
(1R,2R)-1,2-dinaphthalen-1-ylethane-1,2-diamine;dihydrochloride
(1R,2R)-1,2-DI(1-NAPHTHYL)-1,2-ETHANEDIAMINE DIHYDROCHLORIDE
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
20
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
116.25
TPSA
52.04
LogP / Solubility
WLOGP
5.54
MLOGP
4.89
XLogP3
5.54
Consensus LogP
5.32
Log S (ESOL)
-6.09
Class (ESOL)
Insoluble
Log S (Ali)
-6.72
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.12
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.14
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
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