CAS RN: 676657-00-4
KYL
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.20250301 | 1mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS676657-00-4
- Purity/Analytical Methods: >99.0%
676657-00-4 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoic acid
Basic Information
CAS
676657-00-4
Multi CAS
Yes
Molecular Formula
C74H108N14O17
Molecular Weight
1465.700000
Exact Mass
1464.801688
InChI
InChI=1S/C74H108N14O17/c1-40(2)31-52(64(94)84-59(39-90)68(98)85-58(38-89)67(97)83-57(74(104)105)33-42(5)6)80-71(101)62(43(7)8)86-70(100)61-19-14-30-88(61)73(103)56(36-46-37-77-51-17-10-9-15-49(46)51)82-66(96)54(35-45-22-26-48(92)27-23-45)79-69(99)60-18-13-29-87(60)72(102)55(32-41(3)4)81-65(95)53(34-44-20-24-47(91)25-21-44)78-63(93)50(76)16-11-12-28-75/h9-10,15,17,20-27,37,40-43,50,52-62,77,89-92H,11-14,16,18-19,28-36,38-39,75-76H2,1-8H3,(H,78,93)(H,79,99)(H,80,101)(H,81,95)(H,82,96)(H,83,97)(H,84,94)(H,85,98)(H,86,100)(H,104,105)/t50-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1
InChIKey
FZNPYIAZMDBRLC-RKNDTPCJSA-N
Computed Properties
Structural Parameters
Heavy atom count
105
Aromatic heavy atom count
21
Fraction Csp3
0.57
Rotatable bonds
40
H-bond acceptors
18
H-bond donors
17
Molar refractivity
388.36
TPSA
488.57
LogP / Solubility
WLOGP
0.27
MLOGP
0.39
XLogP3
1.6
Consensus LogP
0.75
Log S (ESOL)
-6.61
Class (ESOL)
Insoluble
Log S (Ali)
-11.78
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.21
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)
-11.47
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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