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CAS 2520-24-3 lincomycin B molecular structure lightbox
CAS RN: 2520-24-3

lincomycin B

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250926 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS2520-24-3
  • Purity/Analytical Methods: >99.0%
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2520-24-3 / 4-ethyl-N-[2-hydroxy-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methylpyrrolidine-2-carboxamide

Standard CAS: 2520-24-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2520-24-3
Multi CAS
No
Molecular Formula
C17H32N2O6S
Molecular Weight
392.500000
Exact Mass
392.198108
SMILES
CCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)O
InChI
InChI=1S/C17H32N2O6S/c1-5-9-6-10(19(3)7-9)16(24)18-11(8(2)20)15-13(22)12(21)14(23)17(25-15)26-4/h8-15,17,20-23H,5-7H2,1-4H3,(H,18,24)
InChIKey
DZSDDKNXMARQMJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
26
Fraction Csp3
0.94
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
5
Molar refractivity
98.62
TPSA
122.49

LogP / Solubility

WLOGP
-1.25
MLOGP
-1.07
XLogP3
-0.4
Consensus LogP
-0.91
Log S (ESOL)
-1.09
Class (ESOL)
Soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.9
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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