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CAS 341971-45-7 actinidic acid molecular structure lightbox
CAS RN: 341971-45-7

actinidic acid

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260511 1mg In stock Shanghai Inquiry
  • Product code: starshine_CAS341971-45-7
  • Purity/Analytical Methods: >99.0%
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341971-45-7 / 10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

Standard CAS: 341971-45-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
341971-45-7
Multi CAS
Yes
Molecular Formula
C30H46O5
Molecular Weight
486.700000
Exact Mass
486.334525
InChI
InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)/t18-,20+,21+,22+,23-,24-,26-,27-,28+,29+,30-/m0/s1
InChIKey
FFMVHFPLIIYYNC-QXIFDOFRSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.83
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
4
Molar refractivity
135.39
TPSA
97.99

LogP / Solubility

WLOGP
4.95
MLOGP
4.39
XLogP3
4.9
Consensus LogP
4.75
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.17
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.17

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9

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