AB00138593-02
TL;DR: AB00138593-02 (CAS 361172-82-9) is a chemical compound with molecular formula C26H25N3O3S2 and molecular weight 491.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(azepan-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: AB00138593-02, F0779-0454, 4-(azepane-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, 4-(azepan-1-ylsulfonyl)-N-(4,5-dihydroacenaphtho[5,4-d]thiazol-8-yl)benzamide, 4-(azepan-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 | C26H25N3O3S2 |
|---|---|
| Molecular Weight | 491.13 g/mol |
| LogP | 5.3651 |
| Topological Polar Surface Area | 79.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 491.13373 |
| Heavy Atoms | 34 |
| Complexity | 1516.7308 |
Chemical Identifiers
| CAS Number | 361172-82-9 |
|---|---|
| SMILES | C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=NC4=C(S3)C=C5CCC6=C5C4=CC=C6 |
Product Overview
AB00138593-02 (CAS 361172-82-9), with molecular formula C26H25N3O3S2 and molecular weight 491.13 g/mol. IUPAC: 4-(azepan-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 AB00138593-02
Property Insights of AB00138593-02
The XLogP value of 5.3651 indicates that AB00138593-02 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 AB00138593-02. Following Lipinski's Rule of Five, AB00138593-02 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 AB00138593-02?
The CAS number of AB00138593-02 is 361172-82-9.
What is the molecular formula of AB00138593-02?
The molecular formula of AB00138593-02 is C26H25N3O3S2.
What is the molecular weight of AB00138593-02?
The molecular weight of AB00138593-02 is 491.13 g/mol.
Where can I buy AB00138593-02?
You can request a quote for AB00138593-02 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00138593-02?
Yes, KEHONG BIO provides custom synthesis services for AB00138593-02 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.