![CAS 1044764-19-3 6,7-DIHYDRO-5H-PYRROLO[1,2-A]IMIDAZOL-3-YLMETHANOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB9788228.gif)
CAS RN: 1044764-19-3
6,7-DIHYDRO-5H-PYRROLO[1,2-A]IMIDAZOL-3-YLMETHANOL
- Product code: SSC-006239
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 | Hong Kong | Inquiry |
1044764-19-3 / 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethanol
6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethanol | MFCD08751339 | {5H,6H,7H-pyrrolo[1,2-a]imidazol-3-yl}methanol
Basic Information
CAS
1044764-19-3
Multi CAS
No
Molecular Formula
C7H10N2O
Molecular Weight
138.170000
Exact Mass
138.079313
SMILES
C1CC2=NC=C(N2C1)CO
InChI
InChI=1S/C7H10N2O/c10-5-6-4-8-7-2-1-3-9(6)7/h4,10H,1-3,5H2
InChIKey
BDQHFHMDXRFNGB-UHFFFAOYSA-N
Synonyms
6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-ylmethanol
MFCD08751339
{5H,6H,7H-pyrrolo[1,2-a]imidazol-3-yl}methanol
(6,7-Dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)methanol
SCHEMBL25320550
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.57
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.47
TPSA
38.05
LogP / Solubility
WLOGP
0.32
MLOGP
0.28
XLogP3
-0.5
Consensus LogP
0.03
Log S (ESOL)
-1.2
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.95
Class (SILICOS-IT)
Very 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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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