CAS RN: 91-38-3
4-CHLORO-2-(4-METHOXY-PHENYLAMINO)-BENZOIC 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.20260627 | 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS91-38-3
- Purity/Analytical Methods: >99.0%
91-38-3 / 4-chloro-2-(4-methoxyanilino)benzoic acid
Basic Information
CAS
91-38-3
Multi CAS
No
Molecular Formula
C14H12CLNO3
Molecular Weight
277.700000
Exact Mass
277.050571
InChI
InChI=1S/C14H12ClNO3/c1-19-11-5-3-10(4-6-11)16-13-8-9(15)2-7-12(13)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKey
KAERBVZTGPZZHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
2
Molar refractivity
74.69
TPSA
58.56
LogP / Solubility
WLOGP
3.79
MLOGP
3.34
XLogP3
5.5
Consensus LogP
4.21
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.57
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.09
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)
-1.72
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
-
2-Nitro 4′ Chloro Diphenyl Ether
- CAS RN: 91-39-4
- Product Code: starshine_CAS91-39-4
- Purity/Analytical method: >99.0%
-
Antazoline
- CAS RN: 91-75-8
- Product Code: starshine_CAS91-75-8
- Purity/Analytical method: >99.0%
-
Tripelennamine
- CAS RN: 91-81-6
- Product Code: starshine_CAS91-81-6
- Purity/Analytical method: >99.0%
-
CI 37235
- CAS RN: 91-91-8
- Product Code: starshine_CAS91-91-8
- Purity/Analytical method: >99.0%
-
-
PILOCARPINE
- CAS RN: 92-13-7
- Product Code: starshine_CAS92-13-7
- Purity/Analytical method: >99.0%
