![CAS 202752-04-3 4′-METHOXY[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/202752-04-3.gif)
CAS RN: 202752-04-3
4′-METHOXY[1,1′-BIPHENYL]-4-SULFONYL CHLORIDE
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.20250127 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS202752-04-3
- Purity/Analytical Methods: >99.0%
202752-04-3 / 4-(4-methoxyphenyl)benzenesulfonyl chloride
Basic Information
CAS
202752-04-3
Multi CAS
No
Molecular Formula
C13H11ClO3S
Molecular Weight
282.740000
Exact Mass
282.011743
SMILES
COC1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)Cl
InChI
InChI=1S/C13H11ClO3S/c1-17-12-6-2-10(3-7-12)11-4-8-13(9-5-11)18(14,15)16/h2-9H,1H3
InChIKey
AJWXJCPSCXFPJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.08
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
71.47
TPSA
43.37
LogP / Solubility
WLOGP
3.29
MLOGP
2.9
XLogP3
3.5
Consensus LogP
3.23
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.25
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.59
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)
-2.11
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501
Customers Also Viewed
-
-
HOMODIHYDROCAPSAICIN
- CAS RN: 20279-06-5
- Product Code: starshine_CAS20279-06-5
- Purity/Analytical method: >99.0%
-
-
PROPYL PYRUVATE
- CAS RN: 20279-43-0
- Product Code: starshine_CAS20279-43-0
- Purity/Analytical method: >99.0%
-
-
H-ARG-PRO-GLY-PRO-PRO-GLY-LEU-GLN-GLY-ARG-LEU-GLN-ARG-LEU-LEU-GLN-ALA-ASN-GLY-ASN-HIS-ALA-ALA-GLY-ILE-LEU-THR-MET-NH2
- CAS RN: 202801-92-1
- Product Code: starshine_CAS202801-92-1
- Purity/Analytical method: >99.0%
![CAS 202797-03-3 3-Amino-N-Boc-9-azabicyclo[3.3.1]nonane molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/202797-03-3.gif)
