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CAS 12676-15-2 ANGIOTENSIN IV molecular structure lightbox
CAS RN: 12676-15-2

ANGIOTENSIN IV

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8 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251114 100mg Out of stock Inquiry
Batchno.20260223 10mg In stock Shanghai Inquiry
Batchno.20260424 1g Out of stock Inquiry
Batchno.20250109 1mg In stock Shanghai Inquiry
Batchno.20250824 250mg Out of stock Inquiry
Batchno.20250626 25mg In stock Shanghai Inquiry
Batchno.20260228 5mg In stock Shanghai Inquiry
Batchno.20250720 5mg / 25mg / 100mg / 500mg Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS12676-15-2
  • Purity/Analytical Methods: >99.0%
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12676-15-2 / (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid

Standard CAS: 12676-15-2 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
12676-15-2
Multi CAS
No
Molecular Formula
C40H54N8O8
Molecular Weight
774.900000
Exact Mass
774.406461
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1
InChIKey
QSBGWDDCOJYQGY-KOQODJNWSA-N

Physical Properties

Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
56
Aromatic heavy atom count
17
Fraction Csp3
0.47
Rotatable bonds
19
H-bond acceptors
9
H-bond donors
8
Molar refractivity
206.61
TPSA
248.94

LogP / Solubility

WLOGP
1.19
MLOGP
1.11
XLogP3
0.9
Consensus LogP
1.07
Log S (ESOL)
-4.36
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.77
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.96
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
No
Log Kp (skin permeation)
-6.6

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8

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