![CAS 3002-78-6 5-Methyl-1,10-phenanthroline [for Colorimetric Determination of Iron] molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m0300-jpgcontextbwfzdgvyfhjvb3r8mjeyotr8aw1hz2uvanblz3xontcvagi0lzkyotk1otixmtgzmdivttazmdauanbnfgu5mjlkzdc5ytgwmzm3mtlhnzzkodbjzgnhm2i1mtjmogm3y2e1m2u2zdkwytu1zgy5ntm1zmfmntc2yzdknwe.jpeg)
CAS RN: 3002-78-6
5-Methyl-1,10-phenanthroline [for Colorimetric Determination of Iron]
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock1 grade group
- Product code: SSC-133584
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Beijing | Inquiry |
3002-78-6 / 5-methyl-1,10-phenanthroline
Basic Information
CAS
3002-78-6
Multi CAS
No
Molecular Formula
C13H10N2
Molecular Weight
194.230000
Exact Mass
194.084398
InChI
InChI=1S/C13H10N2/c1-9-8-10-4-2-6-14-12(10)13-11(9)5-3-7-15-13/h2-8H,1H3
InChIKey
UJAQYOZROIFQHO-UHFFFAOYSA-N
Physical Properties
Physical Description
Off-white or pale yellow powder
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
14
Fraction Csp3
0.08
H-bond acceptors
2
Molar refractivity
61.78
TPSA
25.78
LogP / Solubility
WLOGP
3.09
MLOGP
2.72
XLogP3
2.8
Consensus LogP
2.87
Log S (ESOL)
-3.68
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.49
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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