[email protected]
CAS 200132-83-8 Kasugamycin (hydrochloride hydrate) molecular structure lightbox
CAS RN: 200132-83-8

Kasugamycin (hydrochloride hydrate)

Product Availability

Choose a grade to view its available package options.

2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260408 100mg In stock Inquiry
Batchno.20251031 25mg In stock Inquiry
  • Product code: starshine_CAS200132-83-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

200132-83-8 / 2-amino-2-[(2R,3S,5S,6R)-5-amino-2-methyl-6-[(2S,3S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyoxan-3-yl]iminoacetic acid;hydrate;hydrochloride

Standard CAS: 200132-83-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
200132-83-8
Multi CAS
No
Molecular Formula
C14H28ClN3O10
Molecular Weight
433.840000
Exact Mass
433.146322
SMILES
C[C@@H]1[C@H](C[C@@H]([C@H](O1)OC2[C@@H]([C@H](C([C@@H]([C@@H]2O)O)O)O)O)N)N=C(C(=O)O)N.O.Cl
InChI
InChI=1S/C14H25N3O9.ClH.H2O/c1-3-5(17-12(16)13(23)24)2-4(15)14(25-3)26-11-9(21)7(19)6(18)8(20)10(11)22;;/h3-11,14,18-22H,2,15H2,1H3,(H2,16,17)(H,23,24);1H;1H2/t3-,4+,5+,6?,7+,8+,9-,10+,11?,14-;;/m1../s1
InChIKey
URDOPMVCASNBEZ-VHRLMMNYSA-N

Computed Properties

Structural Parameters

Heavy atom count
28
Fraction Csp3
0.86
Rotatable bonds
3
H-bond acceptors
10
H-bond donors
8
Molar refractivity
95.74
TPSA
252.81

LogP / Solubility

WLOGP
-4.94
MLOGP
-4.32
XLogP3
-4.94
Consensus LogP
-4.73
Log S (ESOL)
0.78
Class (ESOL)
Highly soluble
Log S (Ali)
0.45
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.26
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.87

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us