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CAS 88373-73-3 DPDPE molecular structure lightbox
CAS RN: 88373-73-3

DPDPE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250830 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS88373-73-3
  • Purity/Analytical Methods: >99.0%
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88373-73-3 / (4S,7S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triazacyclotetradecane-4-carboxylic acid

Standard CAS: 88373-73-3 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
88373-73-3
Multi CAS
Yes
Molecular Formula
C30H39N5O7S2
Molecular Weight
645.800000
Exact Mass
645.229091
InChI
InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1
InChIKey
MCMMCRYPQBNCPH-WMIMKTLMSA-N

Computed Properties

Structural Parameters

Heavy atom count
44
Aromatic heavy atom count
12
Fraction Csp3
0.43
Rotatable bonds
7
H-bond acceptors
9
H-bond donors
7
Molar refractivity
169.71
TPSA
199.95

LogP / Solubility

WLOGP
1.11
MLOGP
1.03
XLogP3
-0.6
Consensus LogP
0.51
Log S (ESOL)
-4.28
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.62
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.87

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
7.5

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