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CAS 4055-39-4 Mitomycin A molecular structure lightbox
CAS RN: 4055-39-4

Mitomycin A

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2 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260106 25mg Out of stock 15 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250211 250mg Out of stock Inquiry
  • Product code: starshine_CAS4055-39-4
  • Purity/Analytical Methods: >99.0%
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4055-39-4 / (7,11-dimethoxy-12-methyl-10,13-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),11-dien-8-yl)methyl carbamate

Standard CAS: 4055-39-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4055-39-4
Multi CAS
Yes
Molecular Formula
C16H19N3O6
Molecular Weight
349.340000
Exact Mass
349.127385
InChI
InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1
InChIKey
HYFMSAFINFJTFH-NGSRAFSJSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
0.56
Rotatable bonds
4
H-bond acceptors
8
H-bond donors
2
Molar refractivity
82.93
TPSA
130.1

LogP / Solubility

WLOGP
-0.96
MLOGP
-0.83
XLogP3
0.3
Consensus LogP
-0.5
Log S (ESOL)
-1.13
Class (ESOL)
Soluble
Log S (Ali)
-1.73
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.54

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
5

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