![CAS 1523530-65-5 (S)-4-(10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamido)butanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1523530-65-5.gif)
CAS RN: 1523530-65-5
(S)-4-(10-Hydroxy-10,11-dihydro-5H-dibenzo[b,f]azepine-5-carboxamido)butanoic 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.20250422 | 100mg / 250mg | Out of stock | 1 business days | Inquiry |
- Product code: starshine_CAS1523530-65-5
- Purity/Analytical Methods: >99.0%
1523530-65-5 / 4-[[(5S)-5-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl]amino]butanoic acid
Basic Information
CAS
1523530-65-5
Multi CAS
No
Molecular Formula
C19H20N2O4
Molecular Weight
340.400000
Exact Mass
340.142307
SMILES
C1[C@@H](C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)NCCCC(=O)O)O
InChI
InChI=1S/C19H20N2O4/c22-17-12-13-6-1-3-8-15(13)21(16-9-4-2-7-14(16)17)19(25)20-11-5-10-18(23)24/h1-4,6-9,17,22H,5,10-12H2,(H,20,25)(H,23,24)/t17-/m0/s1
InChIKey
GZCFGVXBUYHYKW-KRWDZBQOSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.26
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
3
Molar refractivity
93.96
TPSA
89.87
LogP / Solubility
WLOGP
2.99
MLOGP
2.65
XLogP3
1.7
Consensus LogP
2.45
Log S (ESOL)
-3.92
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.51
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-2.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
3
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