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CAS 67310-53-6 Benzylhepta-O-acetyl-b-D-lactoside4%CaCO3 molecular structure lightbox
CAS RN: 67310-53-6

Benzylhepta-O-acetyl-b-D-lactoside4%CaCO3

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260406 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS67310-53-6
  • Purity/Analytical Methods: >99.0%
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67310-53-6 / [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate

Standard CAS: 67310-53-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
67310-53-6
Multi CAS
Yes
Molecular Formula
C33H42O18
Molecular Weight
726.700000
Exact Mass
726.237114
InChI
InChI=1S/C33H42O18/c1-16(34)41-14-24-26(44-18(3)36)28(45-19(4)37)31(48-22(7)40)33(50-24)51-27-25(15-42-17(2)35)49-32(43-13-23-11-9-8-10-12-23)30(47-21(6)39)29(27)46-20(5)38/h8-12,24-33H,13-15H2,1-7H3/t24-,25-,26+,27-,28+,29+,30-,31-,32-,33+/m1/s1
InChIKey
BDMTWMBGISDBOQ-LZWHNZSHSA-N

Computed Properties

Structural Parameters

Heavy atom count
51
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
14
H-bond acceptors
18
Molar refractivity
164.46
TPSA
221.02

LogP / Solubility

WLOGP
0.82
MLOGP
0.79
XLogP3
0.8
Consensus LogP
0.8
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.75
Class (SILICOS-IT)
Insoluble

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)
-6.57

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
9

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