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CAS 70375-24-5 BOC-VAL-PRO-ARG-AMC HCL molecular structure lightbox
CAS RN: 70375-24-5

BOC-VAL-PRO-ARG-AMC HCL

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260530 5mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS70375-24-5
  • Purity/Analytical Methods: >99.0%
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70375-24-5 / tert-butyl N-[1-[2-[[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride

Standard CAS: 70375-24-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70375-24-5
Multi CAS
Yes
Molecular Formula
C31H46CLN7O7
Molecular Weight
664.200000
Exact Mass
663.314725
InChI
InChI=1S/C31H45N7O7.ClH/c1-17(2)25(37-30(43)45-31(4,5)6)28(42)38-14-8-10-22(38)27(41)36-21(9-7-13-34-29(32)33)26(40)35-19-11-12-20-18(3)15-24(39)44-23(20)16-19;/h11-12,15-17,21-22,25H,7-10,13-14H2,1-6H3,(H,35,40)(H,36,41)(H,37,43)(H4,32,33,34);1H/t21-,22-,25-;/m0./s1
InChIKey
ROQGJTZGLVLVIN-AAJWHBHYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
10
Fraction Csp3
0.55
Rotatable bonds
11
H-bond acceptors
8
H-bond donors
5
Molar refractivity
177.67
TPSA
211.45

LogP / Solubility

WLOGP
2.54
MLOGP
2.29
XLogP3
2.54
Consensus LogP
2.46
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.84
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.41
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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