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CAS 60-54-8 Tetracycline molecular structure lightbox
CAS RN: 60-54-8

Tetracycline

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4 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityInquiry
Batchno.20250430 100g Out of stock Inquiry
Batchno.20260324 25g Out of stock Inquiry
Batchno.20250513 500g Out of stock Inquiry
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Batchno.20250925 1ml In stock Inquiry
  • Product code: ICTT3971
  • Purity/Analytical Methods: >95.0%(T)(HPLC)
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60-54-8 / (4S,4aS,5aS,6S,12aR)-4-(dimethylamino)-6,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide

Standard CAS: 60-54-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
60-54-8
Multi CAS
Yes
Molecular Formula
C22H24N2O8
Molecular Weight
444.400000
Exact Mass
444.153266
InChI
InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,14-15,25-26,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,14?,15-,21+,22-/m0/s1
InChIKey
QSTWPXAMJICSRV-XWDZYTQJSA-N

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
2
H-bond acceptors
9
H-bond donors
5
Molar refractivity
108.95
TPSA
178.46

LogP / Solubility

WLOGP
-1
MLOGP
-0.85
XLogP3
-2.2
Consensus LogP
-1.35
Log S (ESOL)
-1.97
Class (ESOL)
Soluble
Log S (Ali)
-2.48
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-1.96
Class (SILICOS-IT)
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)
-6.14

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

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