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CAS 79350-10-0 (6R-trans)-7-[[(2-AMino-4-thiazolyl)acetyl]aMino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid molecular structure lightbox
CAS RN: 79350-10-0

(6R-trans)-7-[[(2-AMino-4-thiazolyl)acetyl]aMino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic Acid

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260514 25mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS79350-10-0
  • Purity/Analytical Methods: >99.0%
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79350-10-0 / 7-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Standard CAS: 79350-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79350-10-0
Multi CAS
Yes
Molecular Formula
C14H14N4O4S2
Molecular Weight
366.400000
Exact Mass
366.045647
InChI
InChI=1S/C14H14N4O4S2/c1-2-6-4-23-12-9(11(20)18(12)10(6)13(21)22)17-8(19)3-7-5-24-14(15)16-7/h2,5,9,12H,1,3-4H2,(H2,15,16)(H,17,19)(H,21,22)/t9-,12-/m1/s1
InChIKey
SGWIRMONYCAJIS-BXKDBHETSA-N

Computed Properties

Structural Parameters

Heavy atom count
24
Aromatic heavy atom count
5
Fraction Csp3
0.29
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
90.11
TPSA
125.62

LogP / Solubility

WLOGP
0.19
MLOGP
0.19
Consensus LogP
0.13
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.8
Class (SILICOS-IT)
Moderately 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)
-4.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5

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