CAS RN: 166764-19-8
(2R)-(-)-1,1-Bis(4-methoxyphenyl)-3-methyl-1,2-butanediamine
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 1g | In stock | Tianjin | Inquiry | |
| Batchno.20251005 | 250mg | In stock | Shanghai, Wuhan, Chengdu | Inquiry | |
| Batchno.20260507 | 250mg / 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry | |
| Batchno.20250221 | 25g | Out of stock | Inquiry | ||
| Batchno.20260628 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS166764-19-8
- Purity/Analytical Methods: >99.0%
166764-19-8 / (2R)-1,1-bis(4-methoxyphenyl)-3-methylbutane-1,2-diamine
Basic Information
CAS
166764-19-8
Multi CAS
No
Molecular Formula
C19H26N2O2
Molecular Weight
314.400000
Exact Mass
314.199428
SMILES
CC(C)[C@H](C(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)N)N
InChI
InChI=1S/C19H26N2O2/c1-13(2)18(20)19(21,14-5-9-16(22-3)10-6-14)15-7-11-17(23-4)12-8-15/h5-13,18H,20-21H2,1-4H3/t18-/m1/s1
InChIKey
WDYGPMAMBXJESZ-GOSISDBHSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
93.77
TPSA
70.5
LogP / Solubility
WLOGP
2.89
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.22
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.82
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501
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