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CAS 83881-09-8 MoMetasone Furoate IMpurity D molecular structure lightbox
CAS RN: 83881-09-8

MoMetasone Furoate IMpurity D

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251231 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS83881-09-8
  • Purity/Analytical Methods: >99.0%
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83881-09-8 / [(1S,2S,10S,11S,13R,14R,15S,17S)-14-(2-chloroacetyl)-2,13,15-trimethyl-5-oxo-18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadeca-3,6-dien-14-yl] furan-2-carboxylate

Standard CAS: 83881-09-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
83881-09-8
Multi CAS
Yes
Molecular Formula
C27H29CLO6
Molecular Weight
485.000000
Exact Mass
484.165266
InChI
InChI=1S/C27H29ClO6/c1-15-11-19-18-7-6-16-12-17(29)8-9-24(16,2)27(18)22(33-27)13-25(19,3)26(15,21(30)14-28)34-23(31)20-5-4-10-32-20/h4-5,8-10,12,15,18-19,22H,6-7,11,13-14H2,1-3H3/t15-,18+,19+,22+,24+,25+,26+,27-/m1/s1
InChIKey
PGAGVJAYRDPYKY-QVWMRSGNSA-N

Computed Properties

Structural Parameters

Heavy atom count
34
Aromatic heavy atom count
5
Fraction Csp3
0.59
Rotatable bonds
4
H-bond acceptors
6
Molar refractivity
123.24
TPSA
86.11

LogP / Solubility

WLOGP
4.67
MLOGP
4.14
XLogP3
4.4
Consensus LogP
4.4
Log S (ESOL)
-5.63
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.91
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble

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)
-2.36

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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