[email protected]
CAS 103321-55-7 FMOC-CYS(BZL)-CL molecular structure lightbox
CAS RN: 103321-55-7

FMOC-CYS(BZL)-CL

  • Product code: SSC-004802
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: 5g
  • 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 103321-55-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

103321-55-7 / 9H-fluoren-9-ylmethyl N-[(2S)-3-benzylsulfanyl-1-chloro-1-oxopropan-2-yl]carbamate

Fmoc-Cys(Bzl)-Cl | 9H-fluoren-9-ylmethyl N-[(2S)-3-benzylsulfanyl-1-chloro-1-oxopropan-2-yl]carbamate | DTXSID501112215

Standard CAS: 103321-55-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
103321-55-7
Multi CAS
Yes
Molecular Formula
C25H22ClNO3S
Molecular Weight
452.000000
Exact Mass
451.100892
SMILES
C1=CC=C(C=C1)CSC[C@@H](C(=O)Cl)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C25H22ClNO3S/c26-24(28)23(16-31-15-17-8-2-1-3-9-17)27-25(29)30-14-22-20-12-6-4-10-18(20)19-11-5-7-13-21(19)22/h1-13,22-23H,14-16H2,(H,27,29)/t23-/m0/s1
InChIKey
SROXPZPJVPCTHD-QHCPKHFHSA-N
Synonyms
Fmoc-Cys(Bzl)-Cl 9H-fluoren-9-ylmethyl N-[(2S)-3-benzylsulfanyl-1-chloro-1-oxopropan-2-yl]carbamate DTXSID501112215 MFCD00235808 SY487597

Computed Properties

Structural Parameters

Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.2
Rotatable bonds
8
H-bond acceptors
4
H-bond donors
1
Molar refractivity
125.46
TPSA
55.4

LogP / Solubility

WLOGP
5.59
MLOGP
4.95
XLogP3
5.8
Consensus LogP
5.45
Log S (ESOL)
-6.07
Class (ESOL)
Insoluble
Log S (Ali)
-7.3
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.2
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us