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CAS 152575-13-8 CEFACLOR, DELTA-3-ISOMER (30 MG) molecular structure lightbox
CAS RN: 152575-13-8

CEFACLOR, DELTA-3-ISOMER (30 MG)

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250127 1mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS152575-13-8
  • Purity/Analytical Methods: >99.0%
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152575-13-8 / (6R,7R)-7-[[(2R)-2-amino-2-phenylacetyl]amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid

Standard CAS: 152575-13-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
152575-13-8
Multi CAS
No
Molecular Formula
C15H14ClN3O4S
Molecular Weight
367.800000
Exact Mass
367.039355
SMILES
C1=CC=C(C=C1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(C(=CS3)Cl)C(=O)O)N
InChI
InChI=1S/C15H14ClN3O4S/c16-8-6-24-14-10(13(21)19(14)11(8)15(22)23)18-12(20)9(17)7-4-2-1-3-5-7/h1-6,9-11,14H,17H2,(H,18,20)(H,22,23)/t9-,10-,11?,14-/m1/s1
InChIKey
UPMVPDSZPOOATN-ULZUWYFZSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
6
Fraction Csp3
0.27
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
3
Molar refractivity
88.89
TPSA
112.73

LogP / Solubility

WLOGP
0.62
MLOGP
0.57
XLogP3
-1
Consensus LogP
0.06
Log S (ESOL)
-2.43
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.05
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
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)
-4.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5

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