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CAS 612069-30-4 2-(2H-Benzotriazol-2-yl)-p-cresol molecular structure lightbox
CAS RN: 612069-30-4

2-(2H-Benzotriazol-2-yl)-p-cresol

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250908 10mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS612069-30-4
  • Purity/Analytical Methods: >99.0%
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612069-30-4 / N-[4-[[(2S,3R,4S,6R)-2-[[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadec-11-yl]oxy]-3-hydroxy-6-methyloxan-4-yl]-methylsulfamoyl]phenyl]acetamide

Standard CAS: 612069-30-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
612069-30-4
Multi CAS
Yes
Molecular Formula
C45H77N3O15S
Molecular Weight
932.200000
Exact Mass
931.507540
InChI
InChI=1S/C45H77N3O15S/c1-15-34-45(11,55)38(51)28(6)47(12)23-24(2)21-43(9,54)40(26(4)37(27(5)41(53)61-34)62-35-22-44(10,58-14)39(52)29(7)60-35)63-42-36(50)33(20-25(3)59-42)48(13)64(56,57)32-18-16-31(17-19-32)46-30(8)49/h16-19,24-29,33-40,42,50-52,54-55H,15,20-23H2,1-14H3,(H,46,49)/t24-,25-,26+,27-,28-,29+,33+,34-,35+,36-,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1
InChIKey
UXWVLGKGQGGAID-SYARVETMSA-N

Computed Properties

Structural Parameters

Heavy atom count
64
Aromatic heavy atom count
6
Fraction Csp3
0.82
Rotatable bonds
10
H-bond acceptors
16
H-bond donors
6
Molar refractivity
236.19
TPSA
243.32

LogP / Solubility

WLOGP
2.62
MLOGP
2.39
XLogP3
4
Consensus LogP
3
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-9.09
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.09
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-6.55

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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