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CAS 14484-47-0 Deflazacort molecular structure lightbox
CAS RN: 14484-47-0

Deflazacort

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260508 1g In stock Inquiry
Batchno.20251018 5g Out of stock Inquiry
  • Product code: ICTD4523
  • Purity/Analytical Methods: >98.0%(HPLC)(N)
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14484-47-0 / [2-[(1S,2S,4R,8S,9S,11S,12S,13R)-11-hydroxy-6,9,13-trimethyl-16-oxo-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-8-yl]-2-oxoethyl] acetate

Standard CAS: 14484-47-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
14484-47-0
Multi CAS
No
Molecular Formula
C25H31NO6
Molecular Weight
441.500000
Exact Mass
441.215138
SMILES
CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C
InChI
InChI=1S/C25H31NO6/c1-13-26-25(20(30)12-31-14(2)27)21(32-13)10-18-17-6-5-15-9-16(28)7-8-23(15,3)22(17)19(29)11-24(18,25)4/h7-9,17-19,21-22,29H,5-6,10-12H2,1-4H3/t17-,18-,19-,21+,22+,23-,24-,25+/m0/s1
InChIKey
FBHSPRKOSMHSIF-GRMWVWQJSA-N

Physical Properties

Melting Point
>215 C

Computed Properties

Structural Parameters

Heavy atom count
32
Fraction Csp3
0.68
Rotatable bonds
3
H-bond acceptors
7
H-bond donors
1
Molar refractivity
115.74
TPSA
102.26

LogP / Solubility

WLOGP
2.56
MLOGP
2.28
XLogP3
2
Consensus LogP
2.28
Log S (ESOL)
-3.99
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.59

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5

Safety & Transport

Pictogram(s)
Health Hazard
Signal
Danger
GHS Hazard Statements
H360 (77.4%): May damage fertility or the unborn child [Danger Reproductive toxicity] H361 (16.1%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H373 (93.5%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
Precautionary Statement Codes
P203, P260, P280, P318, P319, P405, and P501

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