ChemDiv1_008747
TL;DR: ChemDiv1_008747 (CAS 370577-18-7) is a chemical compound with molecular formula C29H21N5O4S and molecular weight 535.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
Also Known As: ChemDiv1_008747, AE-848/41008799, 2-[(1,3-benzoxazol-2-ylsulfanyl)methyl]-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 2-((benzo[d]oxazol-2-ylthio)methyl)-8,9-bis(4-methoxyphenyl)furo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 4-(1,3-Benzoxazol-2-ylsulfanylmethyl)-11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
| Molecular Formula | C29H21N5O4S |
|---|---|
| Molecular Weight | 535.13 g/mol |
| LogP | 6.6552 |
| Topological Polar Surface Area | 100.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 535.1314 |
| Heavy Atoms | 39 |
| Complexity | 1908.1711 |
Chemical Identifiers
| CAS Number | 370577-18-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=C(OC3=C2C4=NC(=NN4C=N3)CSC5=NC6=CC=CC=C6O5)C7=CC=C(C=C7)OC |
Product Overview
ChemDiv1_008747 (CAS 370577-18-7), with molecular formula C29H21N5O4S and molecular weight 535.13 g/mol. IUPAC: 4-(1,3-benzoxazol-2-ylsulfanylmethyl)-11,12-bis(4-methoxyphenyl)-10-oxa-3,5,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene.
Chemical Property Profile of ChemDiv1_008747
Property Insights of ChemDiv1_008747
The XLogP value of 6.6552 indicates that ChemDiv1_008747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.71 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_008747. Following Lipinski's Rule of Five, ChemDiv1_008747 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_008747?
The CAS number of ChemDiv1_008747 is 370577-18-7.
What is the molecular formula of ChemDiv1_008747?
The molecular formula of ChemDiv1_008747 is C29H21N5O4S.
What is the molecular weight of ChemDiv1_008747?
The molecular weight of ChemDiv1_008747 is 535.13 g/mol.
Where can I buy ChemDiv1_008747?
You can request a quote for ChemDiv1_008747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_008747?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_008747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.