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CAS 103222-11-3 VAPREOTIDE molecular structure lightbox
CAS RN: 103222-11-3

VAPREOTIDE

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251009 1ml Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250120 5mg / 25mg Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS103222-11-3
  • Purity/Analytical Methods: >99.0%
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103222-11-3 / (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-19-[[(2R)-2-amino-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-7-propan-2-yl-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide

RC 160 | Sanvar | C57H70N12O9S2

Standard CAS: 103222-11-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103222-11-3
Multi CAS
Yes
Molecular Formula
C57H70N12O9S2
Molecular Weight
1131.400000
Exact Mass
1130.483014
SMILES
CC(C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)N)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N
InChI
InChI=1S/C57H70N12O9S2/c1-32(2)49-57(78)68-48(55(76)64-44(50(60)71)26-35-28-61-41-16-8-6-14-38(35)41)31-80-79-30-47(67-51(72)40(59)24-33-12-4-3-5-13-33)56(77)65-45(25-34-19-21-37(70)22-20-34)53(74)66-46(27-36-29-62-42-17-9-7-15-39(36)42)54(75)63-43(52(73)69-49)18-10-11-23-58/h3-9,12-17,19-22,28-29,32,40,43-49,61-62,70H,10-11,18,23-27,30-31,58-59H2,1-2H3,(H2,60,71)(H,63,75)(H,64,76)(H,65,77)(H,66,74)(H,67,72)(H,68,78)(H,69,73)/t40-,43+,44+,45+,46-,47+,48+,49+/m1/s1
InChIKey
SWXOGPJRIDTIRL-DOUNNPEJSA-N
Synonyms
RC 160 Sanvar C57H70N12O9S2 MFCD30489723 Vapreotide (USAN/INN)

Computed Properties

Structural Parameters

Heavy atom count
80
Aromatic heavy atom count
30
Fraction Csp3
0.37
Rotatable bonds
18
H-bond acceptors
13
H-bond donors
13
Molar refractivity
309.31
TPSA
350.64

LogP / Solubility

WLOGP
2.01
MLOGP
1.88
XLogP3
3.6
Consensus LogP
2.5
Log S (ESOL)
-7.21
Class (ESOL)
Insoluble
Log S (Ali)
-10.29
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.84
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-8.19

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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