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CAS 13209-41-1 Dexamethasone EP Impurity E molecular structure lightbox
CAS RN: 13209-41-1

Dexamethasone EP Impurity E

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250831 100mg In stock Shanghai Inquiry
Batchno.20250424 50mg In stock Shanghai Inquiry
  • Product code: starshine_CAS13209-41-1
  • Purity/Analytical Methods: >99.0%
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13209-41-1 / (8S,10S,13S,14S,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

Standard CAS: 13209-41-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
13209-41-1
Multi CAS
No
Molecular Formula
C22H28O4
Molecular Weight
356.500000
Exact Mass
356.198759
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)CO)O)C)C
InChI
InChI=1S/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3/t13-,16-,18+,20+,21+,22+/m1/s1
InChIKey
ZYTXTXAMMDTYDQ-DGEXFFLYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.64
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
98.18
TPSA
74.6

LogP / Solubility

WLOGP
2.75
MLOGP
2.44
XLogP3
2.7
Consensus LogP
2.63
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral] H317 (33.3%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (33.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P333+P317, P337+P317, P362+P364, and P501

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