UPCMLD0ENAT5462933:001
TL;DR: UPCMLD0ENAT5462933:001 (CAS 873810-50-5) is a chemical compound with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloroacetyl)amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: UPCMLD0ENAT5462933:001, 2-(2-Chloroacetamido)-N-(4-methoxyphenyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, 2-[(chloroacetyl)amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, 2-(2-chloroacetamido)-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, BB 0218749
| Molecular Formula | C18H19ClN2O3S |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 4.0651 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.0805 |
| Heavy Atoms | 25 |
| Complexity | 786.364 |
Chemical Identifiers
| CAS Number | 873810-50-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC(=O)C2=C(SC3=C2CCCC3)NC(=O)CCl |
Product Overview
UPCMLD0ENAT5462933:001 (CAS 873810-50-5), with molecular formula C18H19ClN2O3S and molecular weight 378.08 g/mol. IUPAC: 2-[(2-chloroacetyl)amino]-N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5462933:001
Property Insights of UPCMLD0ENAT5462933:001
The XLogP value of 4.0651 indicates that UPCMLD0ENAT5462933:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5462933:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5462933:001 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of UPCMLD0ENAT5462933:001?
The CAS number of UPCMLD0ENAT5462933:001 is 873810-50-5.
What is the molecular formula of UPCMLD0ENAT5462933:001?
The molecular formula of UPCMLD0ENAT5462933:001 is C18H19ClN2O3S.
What is the molecular weight of UPCMLD0ENAT5462933:001?
The molecular weight of UPCMLD0ENAT5462933:001 is 378.08 g/mol.
Where can I buy UPCMLD0ENAT5462933:001?
You can request a quote for UPCMLD0ENAT5462933:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5462933:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5462933:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.