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 | Beijing | Inquiry |
1188264-15-4 / [3-(4-bromophenyl)oxetan-3-yl]methanol
(3-(4-bromophenyl)oxetan-3-yl)methanol | [3-(4-BROMOPHENYL)OXETAN-3-YL]METHANOL | MFCD11850047
Basic Information
CAS
1188264-15-4
Multi CAS
No
Molecular Formula
C10H11BrO2
Molecular Weight
243.100000
Exact Mass
241.994240
SMILES
C1C(CO1)(CO)C2=CC=C(C=C2)Br
InChI
InChI=1S/C10H11BrO2/c11-9-3-1-8(2-4-9)10(5-12)6-13-7-10/h1-4,12H,5-7H2
InChIKey
QWACCRJECGGDBD-UHFFFAOYSA-N
Synonyms
(3-(4-bromophenyl)oxetan-3-yl)methanol
[3-(4-BROMOPHENYL)OXETAN-3-YL]METHANOL
MFCD11850047
SCHEMBL12988537
DTXSID10693306
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
53.72
TPSA
29.46
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.6
Consensus LogP
1.61
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately 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)
-2.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Tert-butyl 3-(1H-pyrazol-3-yl)piperidine-1-carboxylate
- CAS RN: 1188264-16-5
- Product Code: SSC-019037
-
-
1-BROMO-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRAZINE HYDROCHLORIDE
- CAS RN: 1188264-68-7
- Product Code: SSC-019040
-
TERT-BUTYL 3-HYDROXY-4-METHYLPIPERIDINE-1-CARBOXYLATE
- CAS RN: 1188264-78-9
- Product Code: SSC-019042
-
-
tert-butyl 3-methoxy-4-oxopiperidine-1-carboxylate
- CAS RN: 1188265-31-7
- Product Code: starshine_CAS1188265-31-7
- Purity/Analytical method: >99.0%
![CAS 1188264-68-7 1-BROMO-5,6,7,8-TETRAHYDROIMIDAZO[1,5-A]PYRAZINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1188264-68-7.gif)
