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CAS 76497-13-7 Sultamicillin molecular structure lightbox
CAS RN: 76497-13-7

Sultamicillin

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Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250606 5mg / 50mg / 250mg / 1g / 5g Confirm by inquiry Shanghai 5-7 business days Inquiry
  • Product code: starshine_CAS76497-13-7
  • Purity/Analytical Methods: >99.0%
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76497-13-7 / (3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethyl 6-[(2-amino-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Standard CAS: 76497-13-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
76497-13-7
Multi CAS
Yes
Molecular Formula
C25H30N4O9S2
Molecular Weight
594.700000
Exact Mass
594.145421
InChI
InChI=1S/C25H30N4O9S2/c1-24(2)17(29-20(32)16(21(29)39-24)27-19(31)15(26)12-8-6-5-7-9-12)22(33)37-11-38-23(34)18-25(3,4)40(35,36)14-10-13(30)28(14)18/h5-9,14-18,21H,10-11,26H2,1-4H3,(H,27,31)/t14-,15-,16-,17+,18+,21-/m1/s1
InChIKey
OPYGFNJSCUDTBT-PMLPCWDUSA-N

Computed Properties

Structural Parameters

Heavy atom count
40
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
7
H-bond acceptors
11
H-bond donors
2
Molar refractivity
140.48
TPSA
182.48

LogP / Solubility

WLOGP
-0.59
MLOGP
-0.47
XLogP3
0.7
Consensus LogP
-0.12
Log S (ESOL)
-2.81
Class (ESOL)
Moderately soluble
Log S (Ali)
-4.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-3.88
Class (SILICOS-IT)
Poorly 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)
-6.77

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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