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CAS 65002-17-7 BUCILLAMINE molecular structure lightbox
CAS RN: 65002-17-7

BUCILLAMINE

Product Availability

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3 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260629 100mg In stock Shanghai Inquiry
Batchno.20260422 1g In stock Shanghai Inquiry
Batchno.20250319 250mg In stock Shanghai Inquiry
  • Product code: starshine_CAS65002-17-7
  • Purity/Analytical Methods: >99.0%
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65002-17-7 / 2-[(2-methyl-2-sulfanylpropanoyl)amino]-3-sulfanylpropanoic acid

Standard CAS: 65002-17-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
65002-17-7
Multi CAS
Yes
Molecular Formula
C7H13NO3S2
Molecular Weight
223.300000
Exact Mass
223.033686
InChI
InChI=1S/C7H13NO3S2/c1-7(2,13)6(11)8-4(3-12)5(9)10/h4,12-13H,3H2,1-2H3,(H,8,11)(H,9,10)/t4-/m0/s1
InChIKey
VUAFHZCUKUDDBC-BYPYZUCNSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
0.71
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
4
Molar refractivity
56.48
TPSA
66.4

LogP / Solubility

WLOGP
0.19
MLOGP
0.17
XLogP3
0.4
Consensus LogP
0.25
Log S (ESOL)
-1.08
Class (ESOL)
Soluble
Log S (Ali)
-1.53
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.75
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.94

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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