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CAS 1020719-39-4 10,11-Dihydro-10-hydroxy Carbamazepine-D4 (Major) molecular structure lightbox
CAS RN: 1020719-39-4

10,11-Dihydro-10-hydroxy Carbamazepine-D4 (Major)

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250325 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS1020719-39-4
  • Purity/Analytical Methods: >99.0%
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1020719-39-4 / 1,2,3,4-tetradeuterio-6-hydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

Licarbazepine | 10-Hydroxycarbazepine | licarbazepina

Standard CAS: 1020719-39-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1020719-39-4
Multi CAS
Yes
Molecular Formula
C15H14N2O2
Molecular Weight
258.310000
Exact Mass
258.130635
SMILES
[2H]C1=C(C(=C2C(=C1[2H])CC(C3=CC=CC=C3N2C(=O)N)O)[2H])[2H]
InChI
InChI=1S/C15H14N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8,14,18H,9H2,(H2,16,19)/i1D,3D,5D,7D
InChIKey
BMPDWHIDQYTSHX-DNZPNURCSA-N
Synonyms
Licarbazepine 10-Hydroxycarbazepine licarbazepina XFX1A5KJ3V 10,11-Dihydro-10-hydroxy-5H-dibenz(b,f)azepine-5-carboxamide

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
H-bond acceptors
2
H-bond donors
2
Molar refractivity
73.27
TPSA
66.56

LogP / Solubility

WLOGP
2.49
MLOGP
2.2
XLogP3
1.4
Consensus LogP
2.03
Log S (ESOL)
-3.45
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.38
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2

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