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CAS 10106-41-9 17,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate molecular structure lightbox
CAS RN: 10106-41-9

17,21-Dihydroxy-16α-methylpregna-1,4,9(11)-triene-3,20-dione 21-Acetate

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250925 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS10106-41-9
  • Purity/Analytical Methods: >99.0%
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10106-41-9 / [2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

9,11-Dehydrodexamethasone acetate | Dexamethasone EP Impurity H | AOW1NH1RMD

Standard CAS: 10106-41-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
10106-41-9
Multi CAS
Yes
Molecular Formula
C24H30O5
Molecular Weight
398.500000
Exact Mass
398.209324
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)COC(=O)C)O)C)C
InChI
InChI=1S/C24H30O5/c1-14-11-20-18-6-5-16-12-17(26)7-9-22(16,3)19(18)8-10-23(20,4)24(14,28)21(27)13-29-15(2)25/h7-9,12,14,18,20,28H,5-6,10-11,13H2,1-4H3/t14-,18-,20+,22+,23+,24+/m1/s1
InChIKey
AAPZMQVULRVUEU-PYAFTSMNSA-N
Synonyms
9,11-Dehydrodexamethasone acetate Dexamethasone EP Impurity H AOW1NH1RMD [2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate 2-((8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl acetate

Computed Properties

Structural Parameters

Heavy atom count
29
Fraction Csp3
0.62
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
107.73
TPSA
80.67

LogP / Solubility

WLOGP
3.32
MLOGP
2.95
XLogP3
2.7
Consensus LogP
2.99
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.23
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.37
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.79

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

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