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CAS 92577-65-6 CarbaMic acid, N-[(propylaMino)sulfonyl]-, phenylMethyl ester molecular structure lightbox
CAS RN: 92577-65-6

CarbaMic acid, N-[(propylaMino)sulfonyl]-, phenylMethyl ester

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251104 200mg / 1g / 5g Confirm by inquiry Shandong 8-10 business days Inquiry
  • Product code: starshine_CAS92577-65-6
  • Purity/Analytical Methods: >99.0%
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92577-65-6 / benzyl N-(propylsulfamoyl)carbamate

Standard CAS: 92577-65-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
92577-65-6
Multi CAS
No
Molecular Formula
C11H16N2O4S
Molecular Weight
272.320000
Exact Mass
272.083078
InChI
InChI=1S/C11H16N2O4S/c1-2-8-12-18(15,16)13-11(14)17-9-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3,(H,13,14)
InChIKey
BHFKHUVQEIMGGI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.36
Rotatable bonds
6
H-bond acceptors
4
H-bond donors
2
Molar refractivity
66.98
TPSA
84.5

LogP / Solubility

WLOGP
1.16
MLOGP
1.03
XLogP3
1.6
Consensus LogP
1.26
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.63
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.11
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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