[email protected]
CAS 1216659-54-9 Ciprofloxacin-D8 hydrochloride hydrate (see Data Sheet) molecular structure lightbox
CAS RN: 1216659-54-9

Ciprofloxacin-D8 hydrochloride hydrate (see Data Sheet)

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250907 10mg In stock Shanghai Inquiry
  • Product code: starshine_CAS1216659-54-9
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1216659-54-9 / 1-cyclopropyl-6-fluoro-7-(2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride

Standard CAS: 1216659-54-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1216659-54-9
Multi CAS
No
Molecular Formula
C17H19ClFN3O3
Molecular Weight
375.800000
Exact Mass
375.160111
SMILES
[2H]C1(C(N(C(C(N1)([2H])[2H])([2H])[2H])C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F)([2H])[2H])[2H].Cl
InChI
InChI=1S/C17H18FN3O3.ClH/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;/h7-10,19H,1-6H2,(H,23,24);1H/i3D2,4D2,5D2,6D2;
InChIKey
DIOIOSKKIYDRIQ-JCYLEXHWSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
10
Fraction Csp3
0.41
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
95.73
TPSA
74.57

LogP / Solubility

WLOGP
2.01
MLOGP
1.78
XLogP3
2.01
Consensus LogP
1.93
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.02
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.07
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Customers Also Viewed

Get In Touch

Contact Us