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CAS 3395-37-7 NAPHTHOL AS-BI N-ACETYL-BETA-D-GLUCOSAMINIDE molecular structure lightbox
CAS RN: 3395-37-7

NAPHTHOL AS-BI N-ACETYL-BETA-D-GLUCOSAMINIDE

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250808 25mg / 100mg / 500mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS3395-37-7
  • Purity/Analytical Methods: >99.0%
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3395-37-7 / 3-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-bromo-N-(2-methoxyphenyl)naphthalene-2-carboxamide

Standard CAS: 3395-37-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
3395-37-7
Multi CAS
Yes
Molecular Formula
BC26H27O8Rn2
Molecular Weight
575.400000
Exact Mass
574.095080
InChI
InChI=1S/C26H27BrN2O8/c1-13(31)28-22-24(33)23(32)21(12-30)37-26(22)36-20-11-14-7-8-16(27)9-15(14)10-17(20)25(34)29-18-5-3-4-6-19(18)35-2/h3-11,21-24,26,30,32-33H,12H2,1-2H3,(H,28,31)(H,29,34)/t21-,22-,23-,24-,26-/m1/s1
InChIKey
DMLKUPXKUQREOC-CFXNPWLASA-N

Computed Properties

Structural Parameters

Heavy atom count
37
Aromatic heavy atom count
16
Fraction Csp3
0.31
Rotatable bonds
7
H-bond acceptors
8
H-bond donors
5
Molar refractivity
138.59
TPSA
146.58

LogP / Solubility

WLOGP
2.19
MLOGP
1.97
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-4.64
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.05
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.68

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7

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