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CAS 30953-20-9 BRADYKININ POTENTIATOR C molecular structure lightbox
CAS RN: 30953-20-9

BRADYKININ POTENTIATOR C

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260601 5mg / 10mg / 25mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS30953-20-9
  • Purity/Analytical Methods: >99.0%
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30953-20-9 / 1-[1-[3-methyl-2-[[1-[1-[2-[[1-[1-[4-methyl-2-[[2-[(5-oxopyrrolidine-2-carbonyl)amino]acetyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid

Standard CAS: 30953-20-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
30953-20-9
Multi CAS
Yes
Molecular Formula
C51H77N11O13
Molecular Weight
1052.200000
Exact Mass
1051.570232
InChI
InChI=1S/C51H77N11O13/c1-5-30(4)42(50(73)61-24-10-16-37(61)49(72)62-25-11-17-38(62)51(74)75)56-45(68)34-13-7-22-59(34)47(70)35-14-8-20-57(35)41(65)28-53-44(67)33-12-6-21-58(33)48(71)36-15-9-23-60(36)46(69)32(26-29(2)3)55-40(64)27-52-43(66)31-18-19-39(63)54-31/h29-38,42H,5-28H2,1-4H3,(H,52,66)(H,53,67)(H,54,63)(H,55,64)(H,56,68)(H,74,75)
InChIKey
QWJCUHXRTRCBDI-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
75
Fraction Csp3
0.76
Rotatable bonds
19
H-bond acceptors
12
H-bond donors
6
Molar refractivity
266
TPSA
304.66

LogP / Solubility

WLOGP
-1.41
MLOGP
-1.14
XLogP3
0.4
Consensus LogP
-0.72
Log S (ESOL)
-4.22
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.17
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.61
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)
-10.14

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Leadlikeness
No
Synthetic Accessibility
10

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