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CAS 70967-90-7 N-METHOXYSUCCINYL-ALA-ALA-PRO-VAL P-NITROANILIDE molecular structure lightbox
CAS RN: 70967-90-7

N-METHOXYSUCCINYL-ALA-ALA-PRO-VAL P-NITROANILIDE

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250206 10mg Out of stock 8-10 business days Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250726 10mg In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20260525 250mg In stock Shanghai Inquiry
Batchno.20251125 50mg In stock Shanghai, Guangdong Inquiry
  • Product code: starshine_CAS70967-90-7
  • Purity/Analytical Methods: >99.0%
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70967-90-7 / methyl 4-[[1-[[1-[2-[[3-methyl-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoate

Standard CAS: 70967-90-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
70967-90-7
Multi CAS
Yes
Molecular Formula
C27H38N6O9
Molecular Weight
590.600000
Exact Mass
590.270027
InChI
InChI=1S/C27H38N6O9/c1-15(2)23(26(38)30-18-8-10-19(11-9-18)33(40)41)31-25(37)20-7-6-14-32(20)27(39)17(4)29-24(36)16(3)28-21(34)12-13-22(35)42-5/h8-11,15-17,20,23H,6-7,12-14H2,1-5H3,(H,28,34)(H,29,36)(H,30,38)(H,31,37)/t16-,17-,20-,23-/m0/s1
InChIKey
VLVGCNNWNUERRZ-OSAZLGQLSA-N

Computed Properties

Structural Parameters

Heavy atom count
42
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
13
H-bond acceptors
9
H-bond donors
4
Molar refractivity
149.69
TPSA
206.15

LogP / Solubility

WLOGP
0.63
MLOGP
0.6
XLogP3
0.5
Consensus LogP
0.58
Log S (ESOL)
-3.15
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.58
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.88

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
6

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