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 |
26011-57-4 / 3,4-dihydro-2H-1,4-benzoxazin-6-amine
Basic Information
CAS
26011-57-4
Multi CAS
No
Molecular Formula
C8H10N2O
Molecular Weight
150.180000
Exact Mass
150.079313
SMILES
C1COC2=C(N1)C=C(C=C2)N
InChI
InChI=1S/C8H10N2O/c9-6-1-2-8-7(5-6)10-3-4-11-8/h1-2,5,10H,3-4,9H2
InChIKey
UVUGDGRIYQQKIT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
H-bond acceptors
3
H-bond donors
2
Molar refractivity
44.84
TPSA
47.28
LogP / Solubility
WLOGP
1.07
MLOGP
0.94
XLogP3
1
Consensus LogP
1
Log S (ESOL)
-1.85
Class (ESOL)
Soluble
Log S (Ali)
-1.57
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.53
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.87
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
-
-
7-Chloro-2,3-dihydrobenzofuran-2-carboxylic acid
- CAS RN: 26018-45-1
- Product Code: starshine_CAS26018-45-1
- Purity/Analytical method: >99.0%
-
-
-
-
N-OLEOYLGLYCINE
- CAS RN: 2601-90-3
- Product Code: starshine_CAS2601-90-3
- Purity/Analytical method: >99.0%
