A4129/0176082
TL;DR: A4129/0176082 (CAS 1177587-11-9) is a chemical compound with molecular formula C22H26N2O5S2 and molecular weight 462.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N,7-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
Also Known As: A4129/0176082, N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N,7-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide, N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N,7-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide, 6-{[(6,7,8,9,5a,9a-hexahydro-4H-thiopheno[3,2-c]chromen-4-ylmethyl)methylamino ]sulfonyl}-7-methyl-2H,4H-benzo[e]1,4-oxazaperhydroin-3-one, N-({4H,5AH,6H,7H,8H,9H,9AH-THIENO[3,2-C]CHROMEN-4-YL}METHYL)-N,7-DIMETHYL-3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-6-SULFONAMIDE
| Molecular Formula | C22H26N2O5S2 |
|---|---|
| Molecular Weight | 462.13 g/mol |
| LogP | 3.80562 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 462.12833 |
| Heavy Atoms | 31 |
| Complexity | 1126.9163 |
Chemical Identifiers
| CAS Number | 1177587-11-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1S(=O)(=O)N(C)CC3C4=C(C5CCCCC5O3)SC=C4)NC(=O)CO2 |
Product Overview
A4129/0176082 (CAS 1177587-11-9), with molecular formula C22H26N2O5S2 and molecular weight 462.13 g/mol. IUPAC: N-(5a,6,7,8,9,9a-hexahydro-4H-thieno[3,2-c]chromen-4-ylmethyl)-N,7-dimethyl-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
Chemical Property Profile of A4129/0176082
Property Insights of A4129/0176082
The XLogP value of 3.80562 indicates that A4129/0176082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for A4129/0176082. Following Lipinski's Rule of Five, A4129/0176082 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4129/0176082?
The CAS number of A4129/0176082 is 1177587-11-9.
What is the molecular formula of A4129/0176082?
The molecular formula of A4129/0176082 is C22H26N2O5S2.
What is the molecular weight of A4129/0176082?
The molecular weight of A4129/0176082 is 462.13 g/mol.
Where can I buy A4129/0176082?
You can request a quote for A4129/0176082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4129/0176082?
Yes, KEHONG BIO provides custom synthesis services for A4129/0176082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.