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CAS 1225208-94-5 Cefiderocol molecular structure lightbox
CAS RN: 1225208-94-5

Cefiderocol

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260308 5mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260213 5mg / 10mg / 25mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS1225208-94-5
  • Purity/Analytical Methods: >99.0%
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1225208-94-5 / (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Standard CAS: 1225208-94-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1225208-94-5
Multi CAS
No
Molecular Formula
C30H34ClN7O10S2
Molecular Weight
752.200000
Exact Mass
751.149710
SMILES
CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-]
InChI
InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1
InChIKey
DBPPRLRVDVJOCL-FQRUVTKNSA-N

Computed Properties

Structural Parameters

Heavy atom count
50
Aromatic heavy atom count
11
Fraction Csp3
0.43
Rotatable bonds
13
H-bond acceptors
14
H-bond donors
6
Molar refractivity
179
TPSA
256.9

LogP / Solubility

WLOGP
-0.18
MLOGP
-0.09
XLogP3
1
Consensus LogP
0.24
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-5.6
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.96
Class (SILICOS-IT)
Slightly 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)
-7.44

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

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