CAS RN: 1189940-96-2
ZPAKPRAICRBAOD-LOIXRAQWSA-N
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250507 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS1189940-96-2
- Purity/Analytical Methods: >99.0%
1189940-96-2 / 4-oxo-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]butanoic acid
Fenbufen-d9 | 4-oxo-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]butanoic acid | HY-B1138S
Basic Information
CAS
1189940-96-2
Multi CAS
Yes
Molecular Formula
C16H14O3
Molecular Weight
263.330000
Exact Mass
263.150785
SMILES
[2H]C1=C(C(=C(C(=C1[2H])[2H])C2=C(C(=C(C(=C2[2H])[2H])C(=O)CCC(=O)O)[2H])[2H])[2H])[2H]
InChI
InChI=1S/C16H14O3/c17-15(10-11-16(18)19)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,18,19)/i1D,2D,3D,4D,5D,6D,7D,8D,9D
InChIKey
ZPAKPRAICRBAOD-LOIXRAQWSA-N
Synonyms
Fenbufen-d9
4-oxo-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]butanoic acid
HY-B1138S
DA-63407
CS-0201056
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
5
H-bond acceptors
2
H-bond donors
1
Molar refractivity
73.08
TPSA
54.37
LogP / Solubility
WLOGP
3.4
MLOGP
3
XLogP3
3.2
Consensus LogP
3.2
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.74
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
Acetildenafil-d8
- CAS RN: 1189944-10-2
- Product Code: starshine_CAS1189944-10-2
- Purity/Analytical method: >99.0%
-
4-[2,2,5,5-tetradeuterio-4-(4-hydroxyphenyl)hexan-3-yl]phenol
- CAS RN: 1189950-25-1
- Product Code: starshine_CAS1189950-25-1
- Purity/Analytical method: >99.0%
-
4-(2-AMINOETHOXY)-3-METHOXYPHENOL-D3
- CAS RN: 1189958-49-3
- Product Code: starshine_CAS1189958-49-3
- Purity/Analytical method: >99.0%
-
-
N-Desmethyl Clomipramine-d3 Hydrochloride
- CAS RN: 1189971-04-7
- Product Code: starshine_CAS1189971-04-7
- Purity/Analytical method: >99.0%
-
MITOXANTRONE-D8
- CAS RN: 1189974-82-0
- Product Code: starshine_CAS1189974-82-0
- Purity/Analytical method: >99.0%
![CAS 1189950-25-1 4-[2,2,5,5-tetradeuterio-4-(4-hydroxyphenyl)hexan-3-yl]phenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1189950-25-1.gif)
