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CAS 913258-34-1 trans Latanoprost molecular structure lightbox
CAS RN: 913258-34-1

trans Latanoprost

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250913 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS913258-34-1
  • Purity/Analytical Methods: >99.0%
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913258-34-1 / propan-2-yl 7-[3,5-dihydroxy-2-(3-hydroxy-5-phenylpentyl)cyclopentyl]hept-5-enoate

Standard CAS: 913258-34-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
913258-34-1
Multi CAS
Yes
Molecular Formula
C26H40O5
Molecular Weight
432.600000
Exact Mass
432.287574
InChI
InChI=1S/C26H40O5/c1-19(2)31-26(30)13-9-4-3-8-12-22-23(25(29)18-24(22)28)17-16-21(27)15-14-20-10-6-5-7-11-20/h3,5-8,10-11,19,21-25,27-29H,4,9,12-18H2,1-2H3/b8-3+/t21-,22+,23+,24-,25+/m0/s1
InChIKey
GGXICVAJURFBLW-RDSJPUOVSA-N

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
6
Fraction Csp3
0.65
Rotatable bonds
13
H-bond acceptors
5
H-bond donors
3
Molar refractivity
122.45
TPSA
86.99

LogP / Solubility

WLOGP
4.19
MLOGP
3.71
XLogP3
4.3
Consensus LogP
4.07
Log S (ESOL)
-4.44
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.51
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)
-2.39

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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