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 | Shanghai | Inquiry |
207284-12-6 / 2-(3,5-dimethoxyphenyl)guanidine
Basic Information
CAS
207284-12-6
Multi CAS
No
Molecular Formula
C9H13N3O2
Molecular Weight
195.220000
Exact Mass
195.100777
SMILES
COC1=CC(=CC(=C1)N=C(N)N)OC
InChI
InChI=1S/C9H13N3O2/c1-13-7-3-6(12-9(10)11)4-8(5-7)14-2/h3-5H,1-2H3,(H4,10,11,12)
InChIKey
CDBWVYYYKYLWIW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.22
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
55.02
TPSA
82.86
LogP / Solubility
WLOGP
0.61
MLOGP
0.54
XLogP3
0.3
Consensus LogP
0.48
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.48
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
Customers Also Viewed
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R-2-ISOPROPYL-PIPERAZINE
- CAS RN: 207284-25-1
- Product Code: starshine_CAS207284-25-1
- Purity/Analytical method: >99.0%
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