UPCMLD0ENAT0502-0358:001
TL;DR: UPCMLD0ENAT0502-0358:001 (CAS 302575-89-9) is a chemical compound with molecular formula C22H12Cl2O4S2 and molecular weight 473.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-1-benzothiophene-2-carbonyl)oxybut-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate
Also Known As: UPCMLD0ENAT0502-0358:001, AF-399/37271022, but-2-yne-1,4-diyl bis(3-chlorobenzo[b]thiophene-2-carboxylate), 4-(3-chloro-1-benzothiophene-2-carbonyl)oxybut-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate, 4-{[(3-chloro-1-benzothien-2-yl)carbonyl]oxy}-2-butynyl 3-chloro-1-benzothiophene-2-carboxylate
| Molecular Formula | C22H12Cl2O4S2 |
|---|---|
| Molecular Weight | 473.96 g/mol |
| LogP | 6.44 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 473.9554 |
| Heavy Atoms | 30 |
| Complexity | 1227.4062 |
Chemical Identifiers
| CAS Number | 302575-89-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC#CCOC(=O)C3=C(C4=CC=CC=C4S3)Cl)Cl |
Product Overview
UPCMLD0ENAT0502-0358:001 (CAS 302575-89-9), with molecular formula C22H12Cl2O4S2 and molecular weight 473.96 g/mol. IUPAC: 4-(3-chloro-1-benzothiophene-2-carbonyl)oxybut-2-ynyl 3-chloro-1-benzothiophene-2-carboxylate.
Chemical Property Profile of UPCMLD0ENAT0502-0358:001
Property Insights of UPCMLD0ENAT0502-0358:001
The XLogP value of 6.44 indicates that UPCMLD0ENAT0502-0358:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, UPCMLD0ENAT0502-0358:001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, UPCMLD0ENAT0502-0358:001 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT0502-0358:001?
The CAS number of UPCMLD0ENAT0502-0358:001 is 302575-89-9.
What is the molecular formula of UPCMLD0ENAT0502-0358:001?
The molecular formula of UPCMLD0ENAT0502-0358:001 is C22H12Cl2O4S2.
What is the molecular weight of UPCMLD0ENAT0502-0358:001?
The molecular weight of UPCMLD0ENAT0502-0358:001 is 473.96 g/mol.
Where can I buy UPCMLD0ENAT0502-0358:001?
You can request a quote for UPCMLD0ENAT0502-0358:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT0502-0358:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT0502-0358:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.