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CAS 1260-05-5 C(14a)-Homo-27-norgammacer-14-ene-3β,21β-diol 3-acetate molecular structure lightbox
CAS RN: 1260-05-5

C(14a)-Homo-27-norgammacer-14-ene-3β,21β-diol 3-acetate

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250527 5mg Out of stock 30 business days Inquiry
  • Product code: starshine_CAS1260-05-5
  • Purity/Analytical Methods: >99.0%
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1260-05-5 / [(3S,6R,8S,11R,12S,15S,16R,19R,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] acetate

Standard CAS: 1260-05-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260-05-5
Multi CAS
No
Molecular Formula
C32H52O3
Molecular Weight
484.800000
Exact Mass
484.391646
SMILES
CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@H]4C(=CC[C@@H]5[C@@]4(CC[C@H](C5(C)C)O)C)C[C@@]3(CC[C@H]2C1(C)C)C)C
InChI
InChI=1S/C32H52O3/c1-20(33)35-27-15-18-32(8)24(29(27,4)5)13-16-30(6)19-21-9-11-23-28(2,3)26(34)14-17-31(23,7)22(21)10-12-25(30)32/h9,22-27,34H,10-19H2,1-8H3/t22-,23-,24-,25-,26+,27-,30-,31+,32-/m0/s1
InChIKey
JTMRPEBSVBAWGS-UFEYJMCTSA-N

Computed Properties

Structural Parameters

Heavy atom count
35
Fraction Csp3
0.91
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
141.66
TPSA
46.53

LogP / Solubility

WLOGP
7.71
MLOGP
6.82
XLogP3
8.1
Consensus LogP
7.54
Log S (ESOL)
-7.64
Class (ESOL)
Insoluble
Log S (Ali)
-9.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.33
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.2

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
8

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