ASN 09858878
TL;DR: ASN 09858878 (CAS 842972-01-4) is a chemical compound with molecular formula C28H28ClN5S2 and molecular weight 533.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioamide
Also Known As: ASN 09858878, 4-[2-(4-Chlorophenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]-N-(phenylmethyl)-1-piperazinecarbothioamide, N-benzyl-4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioamide
| Molecular Formula | C28H28ClN5S2 |
|---|---|
| Molecular Weight | 533.15 g/mol |
| LogP | 6.0872 |
| Topological Polar Surface Area | 44.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 533.14746 |
| Heavy Atoms | 36 |
| Complexity | 1378.8447 |
Chemical Identifiers
| CAS Number | 842972-01-4 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C(N=C3S2)C4=CC=C(C=C4)Cl)N5CCN(CC5)C(=S)NCC6=CC=CC=C6 |
Product Overview
ASN 09858878 (CAS 842972-01-4), with molecular formula C28H28ClN5S2 and molecular weight 533.15 g/mol. IUPAC: N-benzyl-4-[2-(4-chlorophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl]piperazine-1-carbothioamide.
Chemical Property Profile of ASN 09858878
Property Insights of ASN 09858878
The XLogP value of 6.0872 indicates that ASN 09858878 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.29 Ų, ASN 09858878 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ASN 09858878 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ASN 09858878?
The CAS number of ASN 09858878 is 842972-01-4.
What is the molecular formula of ASN 09858878?
The molecular formula of ASN 09858878 is C28H28ClN5S2.
What is the molecular weight of ASN 09858878?
The molecular weight of ASN 09858878 is 533.15 g/mol.
Where can I buy ASN 09858878?
You can request a quote for ASN 09858878 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ASN 09858878?
Yes, KEHONG BIO provides custom synthesis services for ASN 09858878 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.