[email protected]
CAS 85490-53-5 MOTILIN (CANINE) molecular structure lightbox
CAS RN: 85490-53-5

MOTILIN (CANINE)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250324 1mg Out of stock Inquiry
  • Product code: starshine_CAS85490-53-5
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

85490-53-5 / (2S)-5-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]hexanoyl]amino]acetyl]amino]-5-oxopentanoic acid

Standard CAS: 85490-53-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
85490-53-5
Multi CAS
Yes
Molecular Formula
C120H194N36O34
Molecular Weight
2685.000000
Exact Mass
2684.459172
InChI
InChI=1S/C120H194N36O34/c1-10-64(7)95(114(185)146-75(35-25-51-134-120(130)131)101(172)143-77(39-44-91(163)164)104(175)139-72(32-19-22-48-122)100(171)142-78(40-45-92(165)166)105(176)141-74(34-24-50-133-119(128)129)102(173)148-84(57-89(127)161)110(181)138-71(31-18-21-47-121)99(170)135-59-90(162)137-80(118(189)190)38-43-88(126)160)153-107(178)73(33-20-23-49-123)140-103(174)76(37-42-87(125)159)144-108(179)81(53-62(3)4)147-106(177)79(41-46-93(167)168)145-112(183)85(60-157)151-109(180)83(56-69-58-132-61-136-69)150-116(187)97(66(9)158)155-111(182)82(55-68-29-16-13-17-30-68)149-115(186)96(65(8)11-2)154-113(184)86-36-26-52-156(86)117(188)94(63(5)6)152-98(169)70(124)54-67-27-14-12-15-28-67/h12-17,27-30,58,61-66,70-86,94-97,157-158H,10-11,18-26,31-57,59-60,121-124H2,1-9H3,(H2,125,159)(H2,126,160)(H2,127,161)(H,132,136)(H,135,170)(H,137,162)(H,138,181)(H,139,175)(H,140,174)(H,141,176)(H,142,171)(H,143,172)(H,144,179)(H,145,183)(H,146,185)(H,147,177)(H,148,173)(H,149,186)(H,150,187)(H,151,180)(H,152,169)(H,153,178)(H,154,184)(H,155,182)(H,163,164)(H,165,166)(H,167,168)(H,189,190)(H4,128,129,133)(H4,130,131,134)/t64-,65-,66+,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-,96-,97-/m0/s1
InChIKey
UXNMKJPZQNQTMI-CSRYRKIZSA-N

Computed Properties

Structural Parameters

Heavy atom count
190
Aromatic heavy atom count
17
Fraction Csp3
0.62
Rotatable bonds
94
H-bond acceptors
37
H-bond donors
40
Molar refractivity
682.89
TPSA
1177.8

LogP / Solubility

WLOGP
-10.75
MLOGP
-9.16
XLogP3
-16.8
Consensus LogP
-12.24
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-13.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-19.47
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)
-26.73

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

Customers Also Viewed

Get In Touch

Contact Us