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CAS 58955-93-4 rac trans-10,11-Dihydro-10,11-dihydroxy Carbamazepine molecular structure lightbox
CAS RN: 58955-93-4

rac trans-10,11-Dihydro-10,11-dihydroxy Carbamazepine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250712 2.5mg / 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS58955-93-4
  • Purity/Analytical Methods: >99.0%
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58955-93-4 / 5,6-dihydroxy-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide

Standard CAS: 58955-93-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
58955-93-4
Multi CAS
Yes
Molecular Formula
C15H14N2O3
Molecular Weight
270.280000
Exact Mass
270.100442
InChI
InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1
InChIKey
PRGQOPPDPVELEG-KBPBESRZSA-N

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.13
H-bond acceptors
3
H-bond donors
3
Molar refractivity
74.53
TPSA
86.79

LogP / Solubility

WLOGP
1.98
MLOGP
1.75
XLogP3
0.3
Consensus LogP
1.34
Log S (ESOL)
-3.21
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.96

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5

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