UPCMLD0ENAT5260612:001
TL;DR: UPCMLD0ENAT5260612:001 (CAS 302934-31-2) is a chemical compound with molecular formula C15H20Cl3N3O2S and molecular weight 411.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[1-(butanoylamino)-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Also Known As: UPCMLD0ENAT5260612:001, BAS 00404801, 2-((1-butyramido-2,2,2-trichloroethyl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide, F0095-2308, 2-[[1-(butanoylamino)-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
| Molecular Formula | C15H20Cl3N3O2S |
|---|---|
| Molecular Weight | 411.03 g/mol |
| LogP | 3.7503 |
| Topological Polar Surface Area | 84.22 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.03418 |
| Heavy Atoms | 24 |
| Complexity | 628.2158 |
Chemical Identifiers
| CAS Number | 302934-31-2 |
|---|---|
| SMILES | CCCC(=O)NC(C(Cl)(Cl)Cl)NC1=C(C2=C(S1)CCCC2)C(=O)N |
Product Overview
UPCMLD0ENAT5260612:001 (CAS 302934-31-2), with molecular formula C15H20Cl3N3O2S and molecular weight 411.03 g/mol. IUPAC: 2-[[1-(butanoylamino)-2,2,2-trichloroethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
Chemical Property Profile of UPCMLD0ENAT5260612:001
Property Insights of UPCMLD0ENAT5260612:001
The XLogP value of 3.7503 indicates that UPCMLD0ENAT5260612:001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.22 Ų falls within the moderate polarity range, balancing permeability and solubility for UPCMLD0ENAT5260612:001. Following Lipinski's Rule of Five, UPCMLD0ENAT5260612:001 has 3 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 UPCMLD0ENAT5260612:001?
The CAS number of UPCMLD0ENAT5260612:001 is 302934-31-2.
What is the molecular formula of UPCMLD0ENAT5260612:001?
The molecular formula of UPCMLD0ENAT5260612:001 is C15H20Cl3N3O2S.
What is the molecular weight of UPCMLD0ENAT5260612:001?
The molecular weight of UPCMLD0ENAT5260612:001 is 411.03 g/mol.
Where can I buy UPCMLD0ENAT5260612:001?
You can request a quote for UPCMLD0ENAT5260612:001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for UPCMLD0ENAT5260612:001?
Yes, KEHONG BIO provides custom synthesis services for UPCMLD0ENAT5260612:001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.