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CAS 43188-86-9 11BETA,17ALPHA,21-TRIHYDROXY-4-PREGNENE-3,20-DIONE 3-[O-CARBOXYMETHYL]OXIME molecular structure lightbox
CAS RN: 43188-86-9

11BETA,17ALPHA,21-TRIHYDROXY-4-PREGNENE-3,20-DIONE 3-[O-CARBOXYMETHYL]OXIME

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260317 10mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS43188-86-9
  • Purity/Analytical Methods: >99.0%
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43188-86-9 / 2-[[11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-ylidene]amino]oxyacetic acid

Standard CAS: 43188-86-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
43188-86-9
Multi CAS
Yes
Molecular Formula
C23H33NO7
Molecular Weight
435.500000
Exact Mass
435.225702
InChI
InChI=1S/C23H33NO7/c1-21-7-5-14(24-31-12-19(28)29)9-13(21)3-4-15-16-6-8-23(30,18(27)11-25)22(16,2)10-17(26)20(15)21/h9,15-17,20,25-26,30H,3-8,10-12H2,1-2H3,(H,28,29)/b24-14+/t15-,16-,17-,20+,21-,22-,23-/m0/s1
InChIKey
WXAWNCDYPXVODT-ZAKIEOBNSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Fraction Csp3
0.78
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
4
Molar refractivity
111.16
TPSA
136.65

LogP / Solubility

WLOGP
1.67
MLOGP
1.5
XLogP3
1.8
Consensus LogP
1.66
Log S (ESOL)
-3.26
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.48
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.19

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

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