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CAS 227471-20-7 Mucrolidin molecular structure lightbox
CAS RN: 227471-20-7

Mucrolidin

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260205 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS227471-20-7
  • Purity/Analytical Methods: >99.0%
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227471-20-7 / (1R,4S,4aS,5S,6S,8aR)-4,8a-dimethyl-6-propan-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4,5-triol

Standard CAS: 227471-20-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
227471-20-7
Multi CAS
No
Molecular Formula
C15H28O3
Molecular Weight
256.380000
Exact Mass
256.203845
SMILES
CC(C)[C@@H]1CC[C@]2([C@@H](CC[C@]([C@@H]2[C@H]1O)(C)O)O)C
InChI
InChI=1S/C15H28O3/c1-9(2)10-5-7-14(3)11(16)6-8-15(4,18)13(14)12(10)17/h9-13,16-18H,5-8H2,1-4H3/t10-,11+,12-,13+,14-,15-/m0/s1
InChIKey
SFPWDWLORNWKSK-DEPYFDJDSA-N

Computed Properties

Structural Parameters

Heavy atom count
18
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
3
Molar refractivity
71.03
TPSA
60.69

LogP / Solubility

WLOGP
1.94
MLOGP
1.72
XLogP3
2
Consensus LogP
1.89
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.06
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5

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