CAS RN: 1276379-68-0
Dansyl Chloride-d6
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.20260126 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1276379-68-0
- Purity/Analytical Methods: >99.0%
1276379-68-0 / 5-[bis(trideuteriomethyl)amino]naphthalene-1-sulfonyl chloride
Basic Information
CAS
1276379-68-0
Multi CAS
No
Molecular Formula
C12H12ClNO2S
Molecular Weight
275.780000
Exact Mass
275.065388
SMILES
[2H]C([2H])([2H])N(C1=CC=CC2=C1C=CC=C2S(=O)(=O)Cl)C([2H])([2H])[2H]
InChI
InChI=1S/C12H12ClNO2S/c1-14(2)11-7-3-6-10-9(11)5-4-8-12(10)17(13,15)16/h3-8H,1-2H3/i1D3,2D3
InChIKey
XPDXVDYUQZHFPV-WFGJKAKNSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.31
TPSA
37.38
LogP / Solubility
WLOGP
2.83
MLOGP
2.5
XLogP3
3.5
Consensus LogP
2.94
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.01
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
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
-
Adapalene-d3
- CAS RN: 1276433-89-6
- Product Code: starshine_CAS1276433-89-6
- Purity/Analytical method: >99.0%
-
“1,3-Bis(9H-carbazol-4-yloxy)-2-propanol(Carvedilol Impurity)”
- CAS RN: 1276477-91-8
- Product Code: starshine_CAS1276477-91-8
- Purity/Analytical method: >99.0%
-
-
5-(3,5-difluorophenyl)-1H-pyrazole-3-carboxylic acid(WXC06902)
- CAS RN: 1276541-99-1
- Product Code: SSC-035152
-
PF-4989216
- CAS RN: 1276553-09-3
- Product Code: starshine_CAS1276553-09-3
- Purity/Analytical method: >99.0%
-
