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 |
118184-68-2 / (2-cyclopropylphenyl)methanol
(2-Cyclopropylphenyl)methanol | 2-Cyclopropylbenzyl alcohol | MFCD20921818
Basic Information
CAS
118184-68-2
Multi CAS
No
Molecular Formula
C10H12O
Molecular Weight
148.200000
Exact Mass
148.088815
SMILES
C1CC1C2=CC=CC=C2CO
InChI
InChI=1S/C10H12O/c11-7-9-3-1-2-4-10(9)8-5-6-8/h1-4,8,11H,5-7H2
InChIKey
CWSNJUBFYCZZRO-UHFFFAOYSA-N
Synonyms
(2-Cyclopropylphenyl)methanol
2-Cyclopropylbenzyl alcohol
MFCD20921818
2-(Cyclopropyl)benzyl alcohol
SCHEMBL477701
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
44.34
TPSA
20.23
LogP / Solubility
WLOGP
2.06
MLOGP
1.8
XLogP3
1.9
Consensus LogP
1.92
Log S (ESOL)
-2.33
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.26
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.57
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)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
soyosaponin Ab
- CAS RN: 118194-13-1
- Product Code: starshine_CAS118194-13-1
- Purity/Analytical method: >99.0%
-
3-octylbenzenaMine
- CAS RN: 118198-99-5
- Product Code: starshine_CAS118198-99-5
- Purity/Analytical method: >99.0%
-
4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-, (R)-
- CAS RN: 118204-64-1
- Product Code: starshine_CAS118204-64-1
- Purity/Analytical method: >99.0%
-
5-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one
- CAS RN: 118206-31-8
- Product Code: starshine_CAS118206-31-8
- Purity/Analytical method: >99.0%
-
-
![CAS 118204-64-1 4H-1-Benzopyran-4-one, 2,3-dihydro-3,5,7-trihydroxy-3-[(4-methoxyphenyl)methyl]-, (R)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/118204-64-1.gif)
