AB00672611-01
TL;DR: AB00672611-01 (CAS 477535-02-7) is a chemical compound with molecular formula C27H16N2O3S and molecular weight 448.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzo[f]chromene-2-carboxamide
Also Known As: AB00672611-01, F0816-0250, N-(4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)-3-oxo-3H-benzo[f]chromene-2-carboxamide, 3-oxo-N-{5-thia-3-azatetracyclo[6.6.1.0^{2,6}.0^{11,15}]pentadeca-1(15),2(6),3,7,11,13-hexaen-4-yl}-3H-benzo[f]chromene-2-carboxamide, 3-oxo-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzo[f]chromene-2-carboxamide
| Molecular Formula | C27H16N2O3S |
|---|---|
| Molecular Weight | 448.09 g/mol |
| LogP | 6.06 |
| Topological Polar Surface Area | 72.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 448.08817 |
| Heavy Atoms | 33 |
| Complexity | 1848.2474 |
Chemical Identifiers
| CAS Number | 477535-02-7 |
|---|---|
| SMILES | C1CC2=CC3=C(C4=CC=CC1=C24)N=C(S3)NC(=O)C5=CC6=C(C=CC7=CC=CC=C76)OC5=O |
Product Overview
AB00672611-01 (CAS 477535-02-7), with molecular formula C27H16N2O3S and molecular weight 448.09 g/mol. IUPAC: 3-oxo-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzo[f]chromene-2-carboxamide.
Chemical Property Profile of AB00672611-01
Property Insights of AB00672611-01
The XLogP value of 6.06 indicates that AB00672611-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00672611-01. Following Lipinski's Rule of Five, AB00672611-01 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 AB00672611-01?
The CAS number of AB00672611-01 is 477535-02-7.
What is the molecular formula of AB00672611-01?
The molecular formula of AB00672611-01 is C27H16N2O3S.
What is the molecular weight of AB00672611-01?
The molecular weight of AB00672611-01 is 448.09 g/mol.
Where can I buy AB00672611-01?
You can request a quote for AB00672611-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00672611-01?
Yes, KEHONG BIO provides custom synthesis services for AB00672611-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.