![CAS 27495-40-5 (3S,5S)-5-[(1S,2Z,3aβ,10aα,10bα)-Decahydro-2-(2,5-dihydro-3-methoxy-4-methyl-5-oxofuran-2-ylidene)-1α-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8α-yl]-4,5-dihydro-3-methylfuran-2(3H)-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/27495-40-5.gif)
CAS RN: 27495-40-5
(3S,5S)-5-[(1S,2Z,3aβ,10aα,10bα)-Decahydro-2-(2,5-dihydro-3-methoxy-4-methyl-5-oxofuran-2-ylidene)-1α-methyl-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-8α-yl]-4,5-dihydro-3-methylfuran-2(3H)-one
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20250914 | 25mg | Out of stock | Inquiry |
- Product code: starshine_CAS27495-40-5
- Purity/Analytical Methods: >99.0%
27495-40-5 / (5E)-4-methoxy-3-methyl-5-[(1S,2R,3S,6R,11S)-3-methyl-11-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.02,6]tridecan-4-ylidene]furan-2-one
Basic Information
CAS
27495-40-5
Multi CAS
Yes
Molecular Formula
C23H31NO6
Molecular Weight
417.500000
Exact Mass
417.215138
InChI
InChI=1S/C23H31NO6/c1-11-10-17(29-22(11)25)14-7-8-15-18-12(2)20(28-16(18)6-5-9-24(14)15)21-19(27-4)13(3)23(26)30-21/h11-12,14-18H,5-10H2,1-4H3/b21-20-/t11-,12-,14-,15-,16+,17-,18+/m0/s1
InChIKey
JDGNFRYDHRYXNL-ROHJGGRPSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.74
Rotatable bonds
2
H-bond acceptors
7
Molar refractivity
106.77
TPSA
74.3
LogP / Solubility
WLOGP
2.9
MLOGP
2.58
XLogP3
3
Consensus LogP
2.83
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.08
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.02
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.2
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7
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