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CAS 646502-53-6 VcMMAE molecular structure lightbox
CAS RN: 646502-53-6

VcMMAE

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16 package records14 with current stock3 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250418 10mg In stock Inquiry
Batchno.20260523 1mg In stock Inquiry
Batchno.20260419 25mg In stock Inquiry
Batchno.20250117 50mg In stock Inquiry
Batchno.20250719 5mg In stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251215 100mg In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260107 10mg In stock Shanghai Inquiry
Batchno.20250602 1g In stock Shanghai Inquiry
Batchno.20250204 250mg In stock Shanghai Inquiry
Batchno.20260206 25mg In stock Shanghai Inquiry
Batchno.20251218 50mg In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250728 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250808 100mg In stock Shanghai, Shandong Inquiry
Batchno.20260510 1mg Out of stock 1 business days Inquiry
Batchno.20250526 25mg In stock Shanghai Inquiry
Batchno.20251103 5mg In stock Shanghai, Guangdong Inquiry
  • Product code: SSC-174359
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Verified Factory Data

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Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: >97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 646502-53-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 5 In Stock Shenzhen Inquiry
0.25g >97% 5 In Stock Beijing Inquiry
1g >97% 1 In Stock Shenzhen Inquiry

646502-53-6 / [4-[[(2S)-5-(carbamoylamino)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]pentanoyl]amino]phenyl]methyl N-[(2S)-1-[[(2S)-1-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-N-methylcarbamate

Standard CAS: 646502-53-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
646502-53-6
Multi CAS
Yes
Molecular Formula
C68H105N11O15
Molecular Weight
1316.600000
Exact Mass
1315.779162
InChI
InChI=1S/C68H105N11O15/c1-15-43(8)59(51(92-13)38-55(83)78-37-23-27-50(78)61(93-14)44(9)62(85)71-45(10)60(84)47-24-18-16-19-25-47)76(11)66(89)57(41(4)5)75-65(88)58(42(6)7)77(12)68(91)94-39-46-29-31-48(32-30-46)72-63(86)49(26-22-35-70-67(69)90)73-64(87)56(40(2)3)74-52(80)28-20-17-21-36-79-53(81)33-34-54(79)82/h16,18-19,24-25,29-34,40-45,49-51,56-61,84H,15,17,20-23,26-28,35-39H2,1-14H3,(H,71,85)(H,72,86)(H,73,87)(H,74,80)(H,75,88)(H3,69,70,90)/t43-,44+,45+,49-,50-,51+,56-,57-,58-,59-,60+,61+/m0/s1
InChIKey
NLMBVBUNULOTNS-HOKPPMCLSA-N

Computed Properties

Structural Parameters

Heavy atom count
94
Aromatic heavy atom count
12
Fraction Csp3
0.63
Rotatable bonds
38
H-bond acceptors
15
H-bond donors
8
Molar refractivity
353.39
TPSA
346.85

LogP / Solubility

WLOGP
5.08
MLOGP
4.6
XLogP3
4.9
Consensus LogP
4.86
Log S (ESOL)
-8.79
Class (ESOL)
Insoluble
Log S (Ali)
-14.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-16.99
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)
-7.15

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10

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