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CAS 23109-94-6 9ALPHA,11ALPHA-DIHYDROXY-15-OXO-2,3,4,5-TETRANOR-PROSTAN-1,20-DIOIC ACID molecular structure lightbox
CAS RN: 23109-94-6

9ALPHA,11ALPHA-DIHYDROXY-15-OXO-2,3,4,5-TETRANOR-PROSTAN-1,20-DIOIC ACID

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251018 50μg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS23109-94-6
  • Purity/Analytical Methods: >99.0%
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23109-94-6 / 8-[2-(2-carboxyethyl)-3,5-dihydroxycyclopentyl]-6-oxooctanoic acid

Standard CAS: 23109-94-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
23109-94-6
Multi CAS
No
Molecular Formula
C16H26O7
Molecular Weight
330.370000
Exact Mass
330.167853
SMILES
C1C(C(C(C1O)CCC(=O)O)CCC(=O)CCCCC(=O)O)O
InChI
InChI=1S/C16H26O7/c17-10(3-1-2-4-15(20)21)5-6-11-12(7-8-16(22)23)14(19)9-13(11)18/h11-14,18-19H,1-9H2,(H,20,21)(H,22,23)/t11-,12-,13-,14+/m1/s1
InChIKey
IGRHJCFWWOQYQE-SYQHCUMBSA-N

Computed Properties

Structural Parameters

Heavy atom count
23
Fraction Csp3
0.81
Rotatable bonds
11
H-bond acceptors
5
H-bond donors
4
Molar refractivity
80.83
TPSA
132.13

LogP / Solubility

WLOGP
1.2
MLOGP
1.07
XLogP3
-0.4
Consensus LogP
0.62
Log S (ESOL)
-1.92
Class (ESOL)
Soluble
Log S (Ali)
-3.14
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.13
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.88

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4.5

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