ChemDiv1_005091
TL;DR: ChemDiv1_005091 (CAS 361172-87-4) is a chemical compound with molecular formula C28H21N3O3S2 and molecular weight 511.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydroindol-1-ylsulfonyl)-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)benzamide
Also Known As: ChemDiv1_005091, F0779-0482, 4-(2,3-dihydro-1H-indole-1-sulfonyl)-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}benzamide, N-(4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)-4-(indolin-1-ylsulfonyl)benzamide, 4-(2,3-dihydroindol-1-ylsulfonyl)-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)benzamide
| Molecular Formula | C28H21N3O3S2 |
|---|---|
| Molecular Weight | 511.10 g/mol |
| LogP | 5.5518 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 511.10245 |
| Heavy Atoms | 36 |
| Complexity | 1808.0227 |
Chemical Identifiers
| CAS Number | 361172-87-4 |
|---|---|
| SMILES | C1CC2=CC3=C(C4=CC=CC1=C24)N=C(S3)NC(=O)C5=CC=C(C=C5)S(=O)(=O)N6CCC7=CC=CC=C76 |
Product Overview
ChemDiv1_005091 (CAS 361172-87-4), with molecular formula C28H21N3O3S2 and molecular weight 511.10 g/mol. IUPAC: 4-(2,3-dihydroindol-1-ylsulfonyl)-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)benzamide.
Chemical Property Profile of ChemDiv1_005091
Property Insights of ChemDiv1_005091
The XLogP value of 5.5518 indicates that ChemDiv1_005091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.37 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005091. Following Lipinski's Rule of Five, ChemDiv1_005091 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 ChemDiv1_005091?
The CAS number of ChemDiv1_005091 is 361172-87-4.
What is the molecular formula of ChemDiv1_005091?
The molecular formula of ChemDiv1_005091 is C28H21N3O3S2.
What is the molecular weight of ChemDiv1_005091?
The molecular weight of ChemDiv1_005091 is 511.10 g/mol.
Where can I buy ChemDiv1_005091?
You can request a quote for ChemDiv1_005091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005091?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.