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CAS 79243-10-0 SOMATOSTATIN-28 (1-14) molecular structure lightbox
CAS RN: 79243-10-0

SOMATOSTATIN-28 (1-14)

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2 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260302 1mg In stock Shanghai Inquiry
Batchno.20250522 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS79243-10-0
  • Purity/Analytical Methods: >99.0%
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79243-10-0 / (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid

Standard CAS: 79243-10-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
79243-10-0
Multi CAS
Yes
Molecular Formula
C61H105N23O21S
Molecular Weight
1528.700000
Exact Mass
1527.757609
InChI
InChI=1S/C61H105N23O21S/c1-29(72-48(93)32(63)27-85)47(92)80-38(25-43(64)87)53(98)82-40(28-86)54(99)81-39(26-44(65)88)58(103)84-23-10-14-41(84)55(100)73-30(2)46(91)75-36(18-24-106-4)49(94)74-31(3)57(102)83-22-9-15-42(83)56(101)78-34(13-8-21-71-61(68)69)50(95)77-35(16-17-45(89)90)52(97)76-33(12-7-20-70-60(66)67)51(96)79-37(59(104)105)11-5-6-19-62/h29-42,85-86H,5-28,62-63H2,1-4H3,(H2,64,87)(H2,65,88)(H,72,93)(H,73,100)(H,74,94)(H,75,91)(H,76,97)(H,77,95)(H,78,101)(H,79,96)(H,80,92)(H,81,99)(H,82,98)(H,89,90)(H,104,105)(H4,66,67,70)(H4,68,69,71)/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1
InChIKey
YKMRYZBEFKSJLC-FBZPBABGSA-N

Computed Properties

Structural Parameters

Heavy atom count
106
Fraction Csp3
0.69
Rotatable bonds
49
H-bond acceptors
24
H-bond donors
23
Molar refractivity
377.73
TPSA
742.8

LogP / Solubility

WLOGP
-11.64
MLOGP
-10.08
XLogP3
-15.6
Consensus LogP
-12.44
Log S (ESOL)
1.25
Class (ESOL)
Highly soluble
Log S (Ali)
-3.69
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-5.82
Class (SILICOS-IT)
Slightly soluble

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)
-20.31

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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