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CAS 386213-32-7 FMOC-LYS(MCA)-OH molecular structure lightbox
CAS RN: 386213-32-7

FMOC-LYS(MCA)-OH

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260208 100mg / 250mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS386213-32-7
  • Purity/Analytical Methods: >99.0%
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386213-32-7 / (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]hexanoic acid

Standard CAS: 386213-32-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
386213-32-7
Multi CAS
Yes
Molecular Formula
C33H32N2O8
Molecular Weight
584.600000
Exact Mass
584.215866
InChI
InChI=1S/C33H32N2O8/c1-41-21-13-14-22-20(17-31(37)43-29(22)18-21)16-30(36)34-15-7-6-12-28(32(38)39)35-33(40)42-19-27-25-10-4-2-8-23(25)24-9-3-5-11-26(24)27/h2-5,8-11,13-14,17-18,27-28H,6-7,12,15-16,19H2,1H3,(H,34,36)(H,35,40)(H,38,39)/t28-/m0/s1
InChIKey
BWJJONDPLYEAMC-NDEPHWFRSA-N

Computed Properties

Structural Parameters

Heavy atom count
43
Aromatic heavy atom count
22
Fraction Csp3
0.27
Rotatable bonds
12
H-bond acceptors
7
H-bond donors
3
Molar refractivity
159.23
TPSA
144.17

LogP / Solubility

WLOGP
4.62
MLOGP
4.11
XLogP3
4.2
Consensus LogP
4.31
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.69
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.74
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)
-3

Drug-likeness / Medicinal Chemistry

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

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