CAS RN: 863971-24-8
McMMAE
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6 package records6 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260309 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20250617 | 10mg | In stock | Shanghai | Inquiry |
| Batchno.20251011 | 1mg | In stock | Shanghai | Inquiry |
| Batchno.20250108 | 25mg | In stock | Shanghai | Inquiry |
| Batchno.20260626 | 50mg | In stock | Shanghai | Inquiry |
| Batchno.20260311 | 5mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS863971-24-8
- Purity/Analytical Methods: >99.0%
863971-24-8 / 6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylhexanamide
Basic Information
CAS
863971-24-8
Multi CAS
Yes
Molecular Formula
C49H78N6O10
Molecular Weight
911.200000
Exact Mass
910.577943
InChI
InChI=1S/C49H78N6O10/c1-13-32(6)44(37(64-11)29-41(59)54-28-20-23-36(54)46(65-12)33(7)47(61)50-34(8)45(60)35-21-16-14-17-22-35)53(10)49(63)42(30(2)3)51-48(62)43(31(4)5)52(9)38(56)24-18-15-19-27-55-39(57)25-26-40(55)58/h14,16-17,21-22,25-26,30-34,36-37,42-46,60H,13,15,18-20,23-24,27-29H2,1-12H3,(H,50,61)(H,51,62)/t32-,33+,34+,36-,37+,42-,43-,44-,45+,46+/m0/s1
InChIKey
UGJOTJHSQWBROP-AXJCKIDNSA-N
Computed Properties
Structural Parameters
Heavy atom count
65
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
26
H-bond acceptors
10
H-bond donors
3
Molar refractivity
247.62
TPSA
195.2
LogP / Solubility
WLOGP
4.25
MLOGP
3.83
XLogP3
4.3
Consensus LogP
4.13
Log S (ESOL)
-6.52
Class (ESOL)
Insoluble
Log S (Ali)
-10.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.23
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)
-5.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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