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 | Shenzhen | Inquiry |
73631-12-6 / 1-[bis(2-chloroethyl)amino]-3-naphthalen-1-yloxypropan-2-ol
Basic Information
CAS
73631-12-6
Multi CAS
No
Molecular Formula
C17H21CL2NO2
Molecular Weight
342.300000
Exact Mass
341.094934
InChI
InChI=1S/C17H21Cl2NO2/c18-8-10-20(11-9-19)12-15(21)13-22-17-7-3-5-14-4-1-2-6-16(14)17/h1-7,15,21H,8-13H2
InChIKey
URWCLWXLBSIIII-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
9
H-bond acceptors
3
H-bond donors
1
Molar refractivity
93.33
TPSA
32.7
LogP / Solubility
WLOGP
3.36
MLOGP
2.97
XLogP3
3.8
Consensus LogP
3.38
Log S (ESOL)
-3.82
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.79
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.75
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)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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GLUFOSINATE-N-ACETYL
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- Product Code: starshine_CAS73634-73-8
- Purity/Analytical method: >99.0%
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