ChemDiv1_006533
TL;DR: ChemDiv1_006533 (CAS 356587-19-4) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-methoxy-11-thia-1,13,16-triazahexacyclo[12.11.0.03,12.04,10.015,23.017,22]pentacosa-3(12),4(10),13,15(23),17(22),18,20-heptaen-2-one
Also Known As: ChemDiv1_006533, AB00100783-01, AH-262/36939026, 3-methoxy-5,6,9,10,11,12,13,16-octahydro-8H-cyclohepta[4'',5'']thieno[2'',3'':4',5']pyrimido[1',2':1,2]pyrido[3,4-b]indol-8-one, 3-methoxy-9,10,11,12,13,16-hexahydro-5H-cyclohepta[4'',5'']thieno[2'',3'':4',5']pyrimido[1',2':1,2]pyrido[3,4-b]indol-8(6H)-one
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 4.4399 |
| Topological Polar Surface Area | 59.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 1311.2965 |
Chemical Identifiers
| CAS Number | 356587-19-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=C(C4=O)C6=C(S5)CCCCC6 |
Product Overview
ChemDiv1_006533 (CAS 356587-19-4), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: 20-methoxy-11-thia-1,13,16-triazahexacyclo[12.11.0.03,12.04,10.015,23.017,22]pentacosa-3(12),4(10),13,15(23),17(22),18,20-heptaen-2-one.
Chemical Property Profile of ChemDiv1_006533
Property Insights of ChemDiv1_006533
The XLogP value of 4.4399 indicates that ChemDiv1_006533 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.91 Ų, ChemDiv1_006533 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_006533 has 1 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 ChemDiv1_006533?
The CAS number of ChemDiv1_006533 is 356587-19-4.
What is the molecular formula of ChemDiv1_006533?
The molecular formula of ChemDiv1_006533 is C22H21N3O2S.
What is the molecular weight of ChemDiv1_006533?
The molecular weight of ChemDiv1_006533 is 391.14 g/mol.
Where can I buy ChemDiv1_006533?
You can request a quote for ChemDiv1_006533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_006533?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_006533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.