![CAS 863971-38-4 L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/863971-38-4.gif)
CAS RN: 863971-38-4
L-Phenylalanine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-valyl-L-valyl-(3R,4S,5S)-3-methoxy-5-methyl-4-(methylamino)heptanoyl-(αR,βR,2S)-β-methoxy-α-methyl-2-pyrrolidinepropanoyl-, methyl ester
Product Availability
Choose a grade to view its available package options.
6 package records0 with current stock2 grade groups
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251024 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS863971-38-4
- Purity/Analytical Methods: >99.0%
863971-38-4 / methyl (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoate
Basic Information
CAS
863971-38-4
Multi CAS
Yes
Molecular Formula
C55H77N5O10
Molecular Weight
968.200000
Exact Mass
967.567044
InChI
InChI=1S/C55H77N5O10/c1-13-35(6)49(45(67-10)31-46(61)60-29-21-28-44(60)50(68-11)36(7)51(62)56-43(54(65)69-12)30-37-22-15-14-16-23-37)58(8)53(64)47(33(2)3)57-52(63)48(34(4)5)59(9)55(66)70-32-42-40-26-19-17-24-38(40)39-25-18-20-27-41(39)42/h14-20,22-27,33-36,42-45,47-50H,13,21,28-32H2,1-12H3,(H,56,62)(H,57,63)/t35-,36+,43-,44-,45+,47-,48-,49-,50+/m0/s1
InChIKey
MDJMZQUALDTONI-OVPIWJPHSA-N
Computed Properties
Structural Parameters
Heavy atom count
70
Aromatic heavy atom count
18
Fraction Csp3
0.56
Rotatable bonds
23
H-bond acceptors
10
H-bond donors
2
Molar refractivity
268.44
TPSA
173.12
LogP / Solubility
WLOGP
6.85
MLOGP
6.12
XLogP3
8.2
Consensus LogP
7.06
Log S (ESOL)
-8.83
Class (ESOL)
Insoluble
Log S (Ali)
-12.45
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.4
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.76
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
9.5
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