CAS RN: 67724-27-0
SAR-1-ILE-8-ANGIOTENSIN II ACETATE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 5mg / 25mg | Confirm by inquiry | Shandong | Inquiry |
- Product code: starshine_CAS67724-27-0
- Purity/Analytical Methods: >99.0%
67724-27-0 / (2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid
Basic Information
CAS
67724-27-0
Multi CAS
Yes
Molecular Formula
C46H73N13O10
Molecular Weight
968.200000
Exact Mass
967.560336
InChI
InChI=1S/C46H73N13O10/c1-8-26(5)37(43(66)55-33(21-29-22-50-24-52-29)44(67)59-19-11-13-34(59)41(64)58-38(45(68)69)27(6)9-2)57-40(63)32(20-28-14-16-30(60)17-15-28)54-42(65)36(25(3)4)56-39(62)31(53-35(61)23-49-7)12-10-18-51-46(47)48/h14-17,22,24-27,31-34,36-38,49,60H,8-13,18-21,23H2,1-7H3,(H,50,52)(H,53,61)(H,54,65)(H,55,66)(H,56,62)(H,57,63)(H,58,64)(H,68,69)(H4,47,48,51)/t26-,27-,31-,32-,33-,34-,36-,37-,38-/m0/s1
InChIKey
ZVUNAQTWOGAJRE-VRZYMZKVSA-N
Computed Properties
Structural Parameters
Heavy atom count
69
Aromatic heavy atom count
11
Fraction Csp3
0.61
Rotatable bonds
28
H-bond acceptors
12
H-bond donors
12
Molar refractivity
255.64
TPSA
357.55
LogP / Solubility
WLOGP
-1.09
MLOGP
-0.87
XLogP3
-1
Consensus LogP
-0.99
Log S (ESOL)
-3.42
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.71
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.41
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)
-9.4
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
8.5
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