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CAS 99291-20-0 V-9-M cholecystokinin nonapeptide molecular structure lightbox
CAS RN: 99291-20-0

V-9-M cholecystokinin nonapeptide

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260610 10mg In stock Shanghai, Shandong Inquiry
Batchno.20260603 5mg In stock Shanghai Inquiry
  • Product code: starshine_CAS99291-20-0
  • Purity/Analytical Methods: >99.0%
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99291-20-0 / (4S)-4-[[(2S)-2-[[1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-3-carboxy-1-[(2S)-2-[[(1S)-1-carboxy-3-methylsulfanylpropyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Standard CAS: 99291-20-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
99291-20-0
Multi CAS
Yes
Molecular Formula
C42H69N9O14S
Molecular Weight
956.100000
Exact Mass
955.468469
InChI
InChI=1S/C42H69N9O14S/c1-20(2)31(43)41(63)51-17-10-12-28(51)37(59)49-33(22(5)6)38(60)45-24(13-14-29(52)53)35(57)44-23(7)34(56)48-32(21(3)4)39(61)47-26(19-30(54)55)40(62)50-16-9-11-27(50)36(58)46-25(42(64)65)15-18-66-8/h20-28,31-33H,9-19,43H2,1-8H3,(H,44,57)(H,45,60)(H,46,58)(H,47,61)(H,48,56)(H,49,59)(H,52,53)(H,54,55)(H,64,65)/t23-,24-,25-,26-,27-,28?,31-,32-,33-/m0/s1
InChIKey
AIKMAJWJXJPJNB-MHJJKFOESA-N

Computed Properties

Structural Parameters

Heavy atom count
66
Fraction Csp3
0.74
Rotatable bonds
26
H-bond acceptors
13
H-bond donors
10
Molar refractivity
238.97
TPSA
353.14

LogP / Solubility

WLOGP
-1.63
MLOGP
-1.34
XLogP3
-2.3
Consensus LogP
-1.76
Log S (ESOL)
-3.02
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.22
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.64
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)
-9.71

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
8.5

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