Caswell No. 277A
TL;DR: Caswell No. 277A (CAS 35109-57-0) is a chemical compound with molecular formula C26H32Cl5NO and molecular weight 549.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;2,3,4,5,6-pentachlorophenol
Also Known As: Caswell No. 277A, pentachlorophenol-(5xi)-abieta-8,11,13-trien-18-amine(1:1), [(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine; 2,3,4,5,6-pentachlorophenol, [(1R,4As)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;2,3,4,5,6-pentachlorophenol
| Molecular Formula | C26H32Cl5NO |
|---|---|
| Molecular Weight | 549.09 g/mol |
| LogP | 9.44 |
| Topological Polar Surface Area | 46.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 551.0897 |
| Heavy Atoms | 33 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 35109-57-0 |
|---|---|
| SMILES | CC(C)C1=CC2=C(C=C1)[C@]3(CCC[C@@](C3CC2)(C)CN)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O |
| InChIKey | FQHFSZCYOUJICQ-MGPZMBRGSA-N |
Product Overview
Caswell No. 277A (CAS 35109-57-0), with molecular formula C26H32Cl5NO and molecular weight 549.09 g/mol. IUPAC: [(1R,4aS)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine;2,3,4,5,6-pentachlorophenol.
Chemical Property Profile of Caswell No. 277A
Property Insights of Caswell No. 277A
The XLogP value of 9.44 indicates that Caswell No. 277A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.3 Ų, Caswell No. 277A exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Caswell No. 277A has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Caswell No. 277A?
The CAS number of Caswell No. 277A is 35109-57-0.
What is the molecular formula of Caswell No. 277A?
The molecular formula of Caswell No. 277A is C26H32Cl5NO.
What is the molecular weight of Caswell No. 277A?
The molecular weight of Caswell No. 277A is 549.09 g/mol.
Where can I buy Caswell No. 277A?
You can request a quote for Caswell No. 277A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caswell No. 277A?
Yes, KEHONG BIO provides custom synthesis services for Caswell No. 277A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.