CAS RN: 147438-27-5
Seco Rapamycin
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250209 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS147438-27-5
- Purity/Analytical Methods: >99.0%
147438-27-5 / (2S)-1-[2-[(2R,3R,6S)-2-hydroxy-6-[(2S,3E,5E,7E,9S,11R,13R,14R,15E,17R,19E,21R)-14-hydroxy-22-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-2,13-dimethoxy-3,9,11,15,17,21-hexamethyl-12,18-dioxodocosa-3,5,7,15,19-pentaenyl]-3-methyloxan-2-yl]-2-oxoacetyl]piperidine-2-carboxylic acid
Basic Information
CAS
147438-27-5
Multi CAS
No
Molecular Formula
C51H79NO13
Molecular Weight
914.200000
Exact Mass
913.555142
SMILES
C[C@@H]1CC[C@H](O[C@]1(C(=O)C(=O)N2CCCC[C@H]2C(=O)O)O)C[C@@H](/C(=C/C=C/C=C/[C@@H](C)C[C@@H](C)C(=O)[C@@H]([C@@H](/C(=C/[C@@H](C)C(=O)/C=C/[C@H](C)C[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)O)OC)/C)OC
InChI
InChI=1S/C51H79NO13/c1-31(26-35(5)45(55)47(64-10)46(56)36(6)28-34(4)41(53)23-19-32(2)27-38-21-24-42(54)44(29-38)63-9)16-12-11-13-17-33(3)43(62-8)30-39-22-20-37(7)51(61,65-39)48(57)49(58)52-25-15-14-18-40(52)50(59)60/h11-13,16-17,19,23,28,31-32,34-35,37-40,42-44,46-47,54,56,61H,14-15,18,20-22,24-27,29-30H2,1-10H3,(H,59,60)/b13-11+,16-12+,23-19+,33-17+,36-28+/t31-,32+,34-,35-,37-,38+,39+,40+,42-,43+,44-,46-,47+,51-/m1/s1
InChIKey
ZAVMPSVOEQNVCP-FWSQOCJKSA-N
Computed Properties
Structural Parameters
Heavy atom count
65
Fraction Csp3
0.71
Rotatable bonds
24
H-bond acceptors
12
H-bond donors
4
Molar refractivity
247.42
TPSA
206.43
LogP / Solubility
WLOGP
6.51
MLOGP
5.81
XLogP3
7.6
Consensus LogP
6.64
Log S (ESOL)
-8.02
Class (ESOL)
Insoluble
Log S (Ali)
-11.75
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-13.88
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.68
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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