![CAS 37642-61-8 2-([(4-BROMOPHENYL)SULFONYL]AMINO)-3-PHENYLPROPANOIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/37642-61-8.gif)
CAS RN: 37642-61-8
2-([(4-BROMOPHENYL)SULFONYL]AMINO)-3-PHENYLPROPANOIC ACID
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.20251126 | 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS37642-61-8
- Purity/Analytical Methods: >99.0%
37642-61-8 / 2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoic acid
Basic Information
CAS
37642-61-8
Multi CAS
No
Molecular Formula
BC15H14O4RnS
Molecular Weight
384.200000
Exact Mass
382.982690
InChI
InChI=1S/C15H14BrNO4S/c16-12-6-8-13(9-7-12)22(20,21)17-14(15(18)19)10-11-4-2-1-3-5-11/h1-9,14,17H,10H2,(H,18,19)
InChIKey
YYNNRJWNBXEQTP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
2
Molar refractivity
86.03
TPSA
83.47
LogP / Solubility
WLOGP
2.42
MLOGP
2.15
XLogP3
3.2
Consensus LogP
2.59
Log S (ESOL)
-3.76
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.46
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.89
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
ARG-PRO-HYP-GLY-PHE-SER-PRO-PHE-ARG
- CAS RN: 37642-65-2
- Product Code: starshine_CAS37642-65-2
- Purity/Analytical method: >99.0%
-
-
-
-
-
