C27H21N3O3S
TL;DR: C27H21N3O3S (CAS 452920-71-7) is a chemical compound with molecular formula C27H21N3O3S and molecular weight 467.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(14-oxo-10-phenyl-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoate
Also Known As: methyl 4-(1-oxo-5-phenyl-3-thioxo-11,11a-dihydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H,5H,6H)-yl)benzoate, methyl 4-(1-oxo-5-phenyl-3-thioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl)benzoate, METHYL 4-[1-OXO-5-PHENYL-3-THIOXO-5,6,11,11A-TETRAHYDRO-1H-IMIDAZO[1,5-B]BETA-CARBOLIN-2(3H)-YL]BENZOATE
| Molecular Formula | C27H21N3O3S |
|---|---|
| Molecular Weight | 467.13 g/mol |
| LogP | 4.6023 |
| Topological Polar Surface Area | 65.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.13037 |
| Heavy Atoms | 34 |
| Complexity | 1445.274 |
Chemical Identifiers
| CAS Number | 452920-71-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3CC4=C(C(N3C2=S)C5=CC=CC=C5)NC6=CC=CC=C46 |
Product Overview
C27H21N3O3S (CAS 452920-71-7), with molecular formula C27H21N3O3S and molecular weight 467.13 g/mol. IUPAC: methyl 4-(14-oxo-10-phenyl-12-sulfanylidene-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-13-yl)benzoate.
Chemical Property Profile of C27H21N3O3S
Property Insights of C27H21N3O3S
The XLogP value of 4.6023 indicates that C27H21N3O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.64 Ų falls within the moderate polarity range, balancing permeability and solubility for C27H21N3O3S. Following Lipinski's Rule of Five, C27H21N3O3S 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 C27H21N3O3S?
The CAS number of C27H21N3O3S is 452920-71-7.
What is the molecular formula of C27H21N3O3S?
The molecular formula of C27H21N3O3S is C27H21N3O3S.
What is the molecular weight of C27H21N3O3S?
The molecular weight of C27H21N3O3S is 467.13 g/mol.
Where can I buy C27H21N3O3S?
You can request a quote for C27H21N3O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C27H21N3O3S?
Yes, KEHONG BIO provides custom synthesis services for C27H21N3O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.