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CAS 311309-25-8 RFAMIDE-RELATED PEPTIDE-1 (HUMAN) molecular structure lightbox
CAS RN: 311309-25-8

RFAMIDE-RELATED PEPTIDE-1 (HUMAN)

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Batchno.20250103 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS311309-25-8
  • Purity/Analytical Methods: >99.0%
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311309-25-8 / (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]butanediamide

Standard CAS: 311309-25-8 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
311309-25-8
Multi CAS
Yes
Molecular Formula
C67H101N19O14S
Molecular Weight
1428.700000
Exact Mass
1427.749610
InChI
InChI=1S/C67H101N19O14S/c1-37(2)28-46(59(93)77-44(20-13-24-74-67(71)72)57(91)78-45(55(70)89)30-40-16-9-7-10-17-40)81-64(98)53-22-15-26-86(53)66(100)50(29-38(3)4)83-61(95)49(33-54(69)88)79-56(90)39(5)76-58(92)47(31-41-18-11-8-12-19-41)80-62(96)51(35-87)84-60(94)48(32-42-34-73-36-75-42)82-63(97)52-21-14-25-85(52)65(99)43(68)23-27-101-6/h7-12,16-19,34,36-39,43-53,87H,13-15,20-33,35,68H2,1-6H3,(H2,69,88)(H2,70,89)(H,73,75)(H,76,92)(H,77,93)(H,78,91)(H,79,90)(H,80,96)(H,81,98)(H,82,97)(H,83,95)(H,84,94)(H4,71,72,74)/t39-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1
InChIKey
STXUPUZSJMRDJT-IWPKOFGPSA-N

Computed Properties

Structural Parameters

Heavy atom count
101
Aromatic heavy atom count
17
Fraction Csp3
0.57
Rotatable bonds
41
H-bond acceptors
18
H-bond donors
16
Molar refractivity
374.99
TPSA
528.03

LogP / Solubility

WLOGP
-3.62
MLOGP
-3.04
XLogP3
-1.1
Consensus LogP
-2.59
Log S (ESOL)
-3.84
Class (ESOL)
Poorly soluble
Log S (Ali)
-8.66
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.86
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)
-14

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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