CAS RN: 1627605-99-5
9-(4-carboxyphenyl)-9H-Carbazole-3,6-dicarboxylic 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.20250318 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1627605-99-5
- Purity/Analytical Methods: >99.0%
1627605-99-5 / 9-(4-carboxyphenyl)carbazole-3,6-dicarboxylic acid
Basic Information
CAS
1627605-99-5
Multi CAS
No
Molecular Formula
C21H13NO6
Molecular Weight
375.300000
Exact Mass
375.074287
SMILES
C1=CC(=CC=C1C(=O)O)N2C3=C(C=C(C=C3)C(=O)O)C4=C2C=CC(=C4)C(=O)O
InChI
InChI=1S/C21H13NO6/c23-19(24)11-1-5-14(6-2-11)22-17-7-3-12(20(25)26)9-15(17)16-10-13(21(27)28)4-8-18(16)22/h1-10H,(H,23,24)(H,25,26)(H,27,28)
InChIKey
UXBLZMYPTHYXIK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
28
Aromatic heavy atom count
19
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
101.66
TPSA
116.83
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
3.6
Consensus LogP
3.64
Log S (ESOL)
-4.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.44
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.8
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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