CAS RN: 1448897-87-7
(1R,2R)-1,2-Bis(4-methylphenyl)ethylenediamine 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.20250721 | 100mg | In stock | Shanghai | Inquiry |
- Product code: SSC-056251
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 | Shanghai | Inquiry |
1448897-87-7 / (1R,2R)-1,2-bis(4-methylphenyl)ethane-1,2-diamine;hydrochloride
Basic Information
CAS
1448897-87-7
Multi CAS
No
Molecular Formula
C16H21ClN2
Molecular Weight
276.800000
Exact Mass
276.139326
SMILES
CC1=CC=C(C=C1)[C@H]([C@@H](C2=CC=C(C=C2)C)N)N.Cl
InChI
InChI=1S/C16H20N2.ClH/c1-11-3-7-13(8-4-11)15(17)16(18)14-9-5-12(2)6-10-14;/h3-10,15-16H,17-18H2,1-2H3;1H/t15-,16-;/m1./s1
InChIKey
RDWCZMJNPMOFLR-QNBGGDODSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
83.46
TPSA
52.04
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
3.43
Consensus LogP
3.29
Log S (ESOL)
-3.98
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.98
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
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