CAS RN: 438567-88-5
JIP-1 (153-163)
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.20260129 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS438567-88-5
- Purity/Analytical Methods: >99.0%
438567-88-5 / (2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]butanediamide
Basic Information
CAS
438567-88-5
Multi CAS
Yes
Molecular Formula
C61H104N20O14
Molecular Weight
1341.600000
Exact Mass
1340.804088
InChI
InChI=1S/C61H104N20O14/c1-32(2)28-41(51(87)74-40(49(65)85)30-36-16-8-7-9-17-36)75-53(89)43(31-46(64)84)76-52(88)42(29-33(3)4)77-56(92)47(34(5)82)79-57(93)48(35(6)83)78-55(91)45-22-15-27-81(45)59(95)39(20-13-25-71-61(68)69)73-50(86)38(19-10-11-23-62)72-54(90)44-21-14-26-80(44)58(94)37(63)18-12-24-70-60(66)67/h7-9,16-17,32-35,37-45,47-48,82-83H,10-15,18-31,62-63H2,1-6H3,(H2,64,84)(H2,65,85)(H,72,90)(H,73,86)(H,74,87)(H,75,89)(H,76,88)(H,77,92)(H,78,91)(H,79,93)(H4,66,67,70)(H4,68,69,71)/t34-,35-,37+,38+,39+,40+,41+,42+,43+,44+,45+,47+,48+/m1/s1
InChIKey
BWQKOFMNXWAKES-QHYOMBHZSA-N
Computed Properties
Structural Parameters
Heavy atom count
95
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
41
H-bond acceptors
18
H-bond donors
18
Molar refractivity
351.04
TPSA
580.9
LogP / Solubility
WLOGP
-6.13
MLOGP
-5.26
XLogP3
-4.4
Consensus LogP
-5.26
Log S (ESOL)
-1.64
Class (ESOL)
Soluble
Log S (Ali)
-6.13
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-15.26
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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