[email protected]
CAS 1163135-96-3 BiMatoprost IMpurity III molecular structure lightbox
CAS RN: 1163135-96-3

BiMatoprost IMpurity III

Product Availability

Choose a grade to view its available package options.

4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260110 10mg In stock Inquiry
Batchno.20260225 1mg Out of stock Inquiry
Batchno.20260505 25mg In stock Inquiry
Batchno.20250110 5mg In stock Inquiry
  • Product code: starshine_CAS1163135-96-3
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1163135-96-3 / (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E)-3-oxo-5-phenylpent-1-enyl]cyclopentyl]-N-ethylhept-5-enamide

BiMatoprost IMpurity III | C25H30D5NO4 | 15-keto-17-phenyl trinor Prostaglandin F2alpha ethyl amide

Standard CAS: 1163135-96-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1163135-96-3
Multi CAS
Yes
Molecular Formula
C25H35NO4
Molecular Weight
413.500000
Exact Mass
413.256609
SMILES
CCNC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(=O)CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C25H35NO4/c1-2-26-25(30)13-9-4-3-8-12-21-22(24(29)18-23(21)28)17-16-20(27)15-14-19-10-6-5-7-11-19/h3,5-8,10-11,16-17,21-24,28-29H,2,4,9,12-15,18H2,1H3,(H,26,30)/b8-3-,17-16+/t21-,22-,23+,24-/m1/s1
InChIKey
OZCBJWOYRKMMPF-QWPROEHNSA-N
Synonyms
BiMatoprost IMpurity III C25H30D5NO4 15-keto-17-phenyl trinor Prostaglandin F2alpha ethyl amide

Computed Properties

Structural Parameters

Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.52
Rotatable bonds
12
H-bond acceptors
4
H-bond donors
3
Molar refractivity
118.81
TPSA
86.63

LogP / Solubility

WLOGP
3.36
MLOGP
2.98
XLogP3
2.7
Consensus LogP
3.01
Log S (ESOL)
-3.87
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.37
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.57
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.86

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
4.5

Safety & Transport

Pictogram(s)
Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H340 (100%): May cause genetic defects [Danger Germ cell mutagenicity] H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
Precautionary Statement Codes
P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us