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CAS 71116-82-0 Tiaprost molecular structure lightbox
CAS RN: 71116-82-0

Tiaprost

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250510 1mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS71116-82-0
  • Purity/Analytical Methods: >99.0%
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71116-82-0 / 7-[3,5-dihydroxy-2-(3-hydroxy-4-thiophen-3-yloxybut-1-enyl)cyclopentyl]hept-5-enoic acid

Standard CAS: 71116-82-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
71116-82-0
Multi CAS
Yes
Molecular Formula
C20H28O6S
Molecular Weight
396.500000
Exact Mass
396.160660
InChI
InChI=1S/C20H28O6S/c21-14(12-26-15-9-10-27-13-15)7-8-17-16(18(22)11-19(17)23)5-3-1-2-4-6-20(24)25/h1,3,7-10,13-14,16-19,21-23H,2,4-6,11-12H2,(H,24,25)/b3-1-,8-7+/t14?,16-,17-,18+,19-/m1/s1
InChIKey
FYBFDIIAPRHIQS-JRSBLEPXSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
5
Fraction Csp3
0.55
Rotatable bonds
11
H-bond acceptors
6
H-bond donors
4
Molar refractivity
103.82
TPSA
107.22

LogP / Solubility

WLOGP
2.6
MLOGP
2.31
XLogP3
1.7
Consensus LogP
2.2
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-3.29

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
No
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5

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