CAS RN: 102607-20-5
Methyl lucidente G
Product Availability
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1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260131 | 5mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS102607-20-5
- Purity/Analytical Methods: >99.0%
102607-20-5 / methyl (4R)-4-[(4S,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
Methyl lucidenate G | 5AS7035X4N | UNII-5AS7035X4N
Basic Information
CAS
102607-20-5
Multi CAS
Yes
Molecular Formula
C28H42O7
Molecular Weight
490.600000
Exact Mass
490.293054
SMILES
C[C@H](CCC(=O)OC)[C@H]1C[C@@H]([C@@]2([C@@]1(CC(=O)C3=C2[C@H](C[C@@H]4[C@@]3(CCC(=O)[C@]4(C)CO)C)O)C)C)O
InChI
InChI=1S/C28H42O7/c1-15(7-8-22(34)35-6)16-11-21(33)28(5)24-17(30)12-19-25(2,10-9-20(32)26(19,3)14-29)23(24)18(31)13-27(16,28)4/h15-17,19,21,29-30,33H,7-14H2,1-6H3/t15-,16-,17+,19-,21+,25+,26-,27-,28+/m1/s1
InChIKey
VGRAGVJGXZADGV-BDXPFUGGSA-N
Synonyms
Methyl lucidenate G
5AS7035X4N
UNII-5AS7035X4N
methyl (4R)-4-[(4S,5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4-(hydroxymethyl)-4,10,13,14-tetramethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CHOL-8-EN-24-oic acid, 7,15-dihydroxy-4-(hydroxymethyl)-4,14-dimethyl-3,11-dioxo-, methyl ester, (4beta,5alpha,7beta,15alpha)-
Computed Properties
Structural Parameters
Heavy atom count
35
Fraction Csp3
0.82
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
3
Molar refractivity
129.05
TPSA
121.13
LogP / Solubility
WLOGP
2.99
MLOGP
2.66
XLogP3
2
Consensus LogP
2.55
Log S (ESOL)
-4.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.74
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.93
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
7.5
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