CAS RN: 1231-74-9
METHYL O-METHYLPODOCARPATE
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260424 | 250mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1231-74-9
- Purity/Analytical Methods: >99.0%
1231-74-9 / methyl (1S,4aS,10aR)-6-methoxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate
Basic Information
CAS
1231-74-9
Multi CAS
No
Molecular Formula
C19H26O3
Molecular Weight
302.400000
Exact Mass
302.188195
SMILES
C[C@]12CCC[C@]([C@@H]1CCC3=C2C=C(C=C3)OC)(C)C(=O)OC
InChI
InChI=1S/C19H26O3/c1-18-10-5-11-19(2,17(20)22-4)16(18)9-7-13-6-8-14(21-3)12-15(13)18/h6,8,12,16H,5,7,9-11H2,1-4H3/t16-,18-,19+/m1/s1
InChIKey
BSKWXDWRTACMCC-QRQLOZEOSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.63
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
86.13
TPSA
35.53
LogP / Solubility
WLOGP
3.88
MLOGP
3.43
XLogP3
4.8
Consensus LogP
4.04
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.08
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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