ChemDiv2_000611
TL;DR: ChemDiv2_000611 (CAS 136918-53-1) is a chemical compound with molecular formula C21H20N2O2S2 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-phenylsulfanyl-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione
Also Known As: ChemDiv2_000611, AH-262/34334012, 3-(phenylsulfanyl)-2,3,8,9,10,11-hexahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione, 15-phenylsulfanyl-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione, 3-(phenylthio)-2,3,8,9,10,11-hexahydrobenzo[4',5']thieno[2',3':4,5]pyrimido[1,2-a]azepine-4,13(1H,7H)-dione
| Molecular Formula | C21H20N2O2S2 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 4.4742 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.09662 |
| Heavy Atoms | 27 |
| Complexity | 1084.995 |
Chemical Identifiers
| CAS Number | 136918-53-1 |
|---|---|
| SMILES | C1CCC2=NC3=C(C4=C(S3)C(=O)C(CC4)SC5=CC=CC=C5)C(=O)N2CC1 |
Product Overview
ChemDiv2_000611 (CAS 136918-53-1), with molecular formula C21H20N2O2S2 and molecular weight 396.10 g/mol. IUPAC: 15-phenylsulfanyl-18-thia-2,9-diazatetracyclo[9.7.0.03,9.012,17]octadeca-1(11),2,12(17)-triene-10,16-dione.
Chemical Property Profile of ChemDiv2_000611
Property Insights of ChemDiv2_000611
The XLogP value of 4.4742 indicates that ChemDiv2_000611 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, ChemDiv2_000611 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv2_000611 has 0 hydrogen bond donor(s) and 5 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 ChemDiv2_000611?
The CAS number of ChemDiv2_000611 is 136918-53-1.
What is the molecular formula of ChemDiv2_000611?
The molecular formula of ChemDiv2_000611 is C21H20N2O2S2.
What is the molecular weight of ChemDiv2_000611?
The molecular weight of ChemDiv2_000611 is 396.10 g/mol.
Where can I buy ChemDiv2_000611?
You can request a quote for ChemDiv2_000611 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_000611?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_000611 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.