CAS RN: 3648-58-6
4-(4-METHOXY-PHENYL)-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID
- Product code: SSC-143681
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 |
3648-58-6 / 4-(4-methoxyphenyl)oxane-4-carboxylic acid
Basic Information
CAS
3648-58-6
Multi CAS
Yes
Molecular Formula
C13H16O4
Molecular Weight
236.260000
Exact Mass
236.104859
InChI
InChI=1S/C13H16O4/c1-16-11-4-2-10(3-5-11)13(12(14)15)6-8-17-9-7-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKey
HUAOQQIUUYXNFN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.46
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
62.36
TPSA
55.76
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
1.6
Consensus LogP
1.68
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.82
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.07
Class (SILICOS-IT)
Poorly 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)
-2.86
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
-
4-(4-Methoxyphenyl)tetrahydro-2H-pyran-4-carbonitrile
- CAS RN: 3648-78-0
- Product Code: SSC-143682
-
7-METHOXY-2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE
- CAS RN: 3648-86-0
- Product Code: SSC-143683
-
5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-4(3H)-One
- CAS RN: 3649-42-1
- Product Code: SSC-143687
-
COSTIC ACID
- CAS RN: 3650-43-9
- Product Code: starshine_CAS3650-43-9
- Purity/Analytical method: >99.0%
-
D-GLUCOSE ETHYLENEDITHIOACETAL 97
- CAS RN: 3650-65-5
- Product Code: starshine_CAS3650-65-5
- Purity/Analytical method: >99.0%
-
3-BroMocinnaMic acid Methyl eater
- CAS RN: 3650-77-9
- Product Code: starshine_CAS3650-77-9
- Purity/Analytical method: >99.0%
![CAS 3648-86-0 7-METHOXY-2,3,4,5-TETRAHYDRO-BENZO[C]AZEPIN-1-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3648-86-0.gif)
![CAS 3649-42-1 5,6,7,8-Tetrahydropyrido[2,3-D]Pyrimidin-4(3H)-One molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/3649-42-1.gif)
