[email protected]
CAS 96497-82-4 LHRH, Arg(6)-Trp(7)-Leu(8)-N-Et-ProNH2(9)- molecular structure lightbox
CAS RN: 96497-82-4

LHRH, Arg(6)-Trp(7)-Leu(8)-N-Et-ProNH2(9)-

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260314 1mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS96497-82-4
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

96497-82-4 / (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]-ethylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide

Standard CAS: 96497-82-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
96497-82-4
Multi CAS
Yes
Molecular Formula
C64H83N17O12
Molecular Weight
1282.400000
Exact Mass
1281.640711
InChI
InChI=1S/C64H83N17O12/c1-4-68-62(92)53-16-10-24-81(53)63(93)51(25-35(2)3)79-58(88)48(27-37-30-70-43-13-7-5-11-41(37)43)76-55(85)45(15-9-23-69-64(65)66)74-57(87)47(26-36-17-19-40(83)20-18-36)75-61(91)52(33-82)80-59(89)49(28-38-31-71-44-14-8-6-12-42(38)44)77-60(90)50(29-39-32-67-34-72-39)78-56(86)46-21-22-54(84)73-46/h5-8,11-14,17-20,30-32,34-35,45-53,70-71,82-83H,4,9-10,15-16,21-29,33H2,1-3H3,(H,67,72)(H,68,92)(H,73,84)(H,74,87)(H,75,91)(H,76,85)(H,77,90)(H,78,86)(H,79,88)(H,80,89)(H4,65,66,69)/t45-,46+,47+,48+,49+,50+,51+,52+,53+/m1/s1
InChIKey
PYXUQVSYYFRRBD-OIAWHVPDSA-N

Computed Properties

Structural Parameters

Heavy atom count
93
Aromatic heavy atom count
29
Fraction Csp3
0.44
Rotatable bonds
32
H-bond acceptors
14
H-bond donors
15
Molar refractivity
342.41
TPSA
452.53

LogP / Solubility

WLOGP
-0.68
MLOGP
-0.47
XLogP3
0.9
Consensus LogP
-0.08
Log S (ESOL)
-5.48
Class (ESOL)
Slightly soluble
Log S (Ali)
-9.59
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.27
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)
-11.02

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