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CAS 644981-35-1 Val-Cit-PAB-MMAE molecular structure lightbox
CAS RN: 644981-35-1

Val-Cit-PAB-MMAE

Product Availability

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10 package records9 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260520 100mg In stock Shanghai, Shenzhen Inquiry
Batchno.20260508 1g In stock Shanghai Inquiry
Batchno.20260415 1mg / 5mg / 25mg / 100mg Confirm by inquiry Shanghai, Shandong Inquiry
Batchno.20251126 250mg In stock Shanghai, Tianjin, Chengdu Inquiry
Batchno.20250315 25mg In stock Shanghai Inquiry
Batchno.20250702 50mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250107 5g Out of stock Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260630 100mg In stock Inquiry
Batchno.20250426 25mg In stock Inquiry
Batchno.20250616 5mg In stock Inquiry
  • Product code: SSC-174223
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 644981-35-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shenzhen Inquiry

644981-35-1 / [4-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-5-(carbamoylamino)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: 644981-35-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
644981-35-1
Multi CAS
Yes
Molecular Formula
C58H94N10O12
Molecular Weight
1123.400000
Exact Mass
1122.705268
InChI
InChI=1S/C58H94N10O12/c1-15-36(8)49(44(78-13)31-45(69)68-30-20-24-43(68)51(79-14)37(9)52(71)62-38(10)50(70)40-21-17-16-18-22-40)66(11)56(75)47(34(4)5)65-55(74)48(35(6)7)67(12)58(77)80-32-39-25-27-41(28-26-39)63-53(72)42(23-19-29-61-57(60)76)64-54(73)46(59)33(2)3/h16-18,21-22,25-28,33-38,42-44,46-51,70H,15,19-20,23-24,29-32,59H2,1-14H3,(H,62,71)(H,63,72)(H,64,73)(H,65,74)(H3,60,61,76)/t36-,37+,38+,42-,43-,44+,46-,47-,48-,49-,50+,51+/m0/s1
InChIKey
WZEAGSMYTVSXQA-XZZQEHRXSA-N

Computed Properties

Structural Parameters

Heavy atom count
80
Aromatic heavy atom count
12
Fraction Csp3
0.66
Rotatable bonds
31
H-bond acceptors
13
H-bond donors
8
Molar refractivity
305.11
TPSA
306.39

LogP / Solubility

WLOGP
4.43
MLOGP
4.01
XLogP3
4.4
Consensus LogP
4.28
Log S (ESOL)
-7.66
Class (ESOL)
Insoluble
Log S (Ali)
-11.97
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-14.36
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)
-6.42

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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