[email protected]
CAS 1802907-98-7 PC Alkyne-PEG4-NHS carbonate ester molecular structure lightbox
CAS RN: 1802907-98-7

PC Alkyne-PEG4-NHS carbonate ester

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250811 50mg In stock Shanghai Inquiry
  • Product code: SSC-080717
GET A QUOTE
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: 0.25g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 1802907-98-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞95% 0 Out of Stock Shanghai Inquiry

1802907-98-7 / (2,5-dioxopyrrolidin-1-yl) 1-[5-methoxy-2-nitro-4-[4-oxo-4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylamino]butoxy]phenyl]ethyl carbonate

Standard CAS: 1802907-98-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1802907-98-7
Multi CAS
No
Molecular Formula
C29H39N3O14
Molecular Weight
653.600000
Exact Mass
653.243203
SMILES
CC(C1=CC(=C(C=C1[N+](=O)[O-])OCCCC(=O)NCCOCCOCCOCCOCC#C)OC)OC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C29H39N3O14/c1-4-10-40-13-15-42-17-18-43-16-14-41-12-9-30-26(33)6-5-11-44-25-20-23(32(37)38)22(19-24(25)39-3)21(2)45-29(36)46-31-27(34)7-8-28(31)35/h1,19-21H,5-18H2,2-3H3,(H,30,33)
InChIKey
AOWMPLACVFKCJJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
46
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
23
H-bond acceptors
14
H-bond donors
1
Molar refractivity
156.56
TPSA
200.53

LogP / Solubility

WLOGP
1.86
MLOGP
1.69
XLogP3
0.4
Consensus LogP
1.32
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-6.26
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.21
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.39

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
4.5

Customers Also Viewed

Get In Touch

Contact Us