AB00675491-01
TL;DR: AB00675491-01 (CAS 867040-72-0) is a chemical compound with molecular formula C29H27ClN4O3S and molecular weight 546.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: AB00675491-01, F1607-1137, 2-{[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.0^{3,8}]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl}-N-(2,4,6-trimethylphenyl)acetamide, 2-((2-(2-chlorophenyl)-6-(hydroxymethyl)-9-methyl-5H-pyrido[4',3':5,6]pyrano[2,3-d]pyrimidin-4-yl)thio)-N-mesitylacetamide, 2-[[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
| Molecular Formula | C29H27ClN4O3S |
|---|---|
| Molecular Weight | 546.15 g/mol |
| LogP | 6.34528 |
| Topological Polar Surface Area | 97.23 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 546.14923 |
| Heavy Atoms | 38 |
| Complexity | 1551.1912 |
Chemical Identifiers
| CAS Number | 867040-72-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)NC(=O)CSC2=NC(=NC3=C2CC4=C(O3)C(=NC=C4CO)C)C5=CC=CC=C5Cl)C |
Product Overview
AB00675491-01 (CAS 867040-72-0), with molecular formula C29H27ClN4O3S and molecular weight 546.15 g/mol. IUPAC: 2-[[5-(2-chlorophenyl)-11-(hydroxymethyl)-14-methyl-2-oxa-4,6,13-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),4,6,11,13-hexaen-7-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of AB00675491-01
Property Insights of AB00675491-01
The XLogP value of 6.34528 indicates that AB00675491-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.23 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00675491-01. Following Lipinski's Rule of Five, AB00675491-01 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AB00675491-01?
The CAS number of AB00675491-01 is 867040-72-0.
What is the molecular formula of AB00675491-01?
The molecular formula of AB00675491-01 is C29H27ClN4O3S.
What is the molecular weight of AB00675491-01?
The molecular weight of AB00675491-01 is 546.15 g/mol.
Where can I buy AB00675491-01?
You can request a quote for AB00675491-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00675491-01?
Yes, KEHONG BIO provides custom synthesis services for AB00675491-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.