BAS 01076533
TL;DR: BAS 01076533 (CAS 372084-07-6) is a chemical compound with molecular formula C21H27N5O3S and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]propan-1-ol
Also Known As: BAS 01076533, 3-((2,2-dimethyl-5-morpholino-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl)amino)propan-1-ol, 3-[(10,10-dimethyl-7-morpholin-4-yl-10,11-dihydro-8H-pyrano[4'',3''-4',5']pyri dino[3',2'-4,5]thiopheno[2,3-e]pyrimidin-4-yl)amino]propan-1-ol, 3-[(2,2-DIMETHYL-5-MORPHOLINO-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)AMINO]-1-PROPANOL, 3-{[2,2-dimethyl-5-(morpholin-4-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]amino}propan-1-ol
| Molecular Formula | C21H27N5O3S |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 2.7217 |
| Topological Polar Surface Area | 92.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.18347 |
| Heavy Atoms | 30 |
| Complexity | 1077.6151 |
Chemical Identifiers
| CAS Number | 372084-07-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=NC3=C2C4=C(S3)C(=NC=N4)NCCCO)N5CCOCC5)C |
Product Overview
BAS 01076533 (CAS 372084-07-6), with molecular formula C21H27N5O3S and molecular weight 429.18 g/mol. IUPAC: 3-[(4,4-dimethyl-8-morpholin-4-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl)amino]propan-1-ol.
Chemical Property Profile of BAS 01076533
Property Insights of BAS 01076533
The XLogP value of 2.7217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01076533. The TPSA of 92.63 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01076533. Following Lipinski's Rule of Five, BAS 01076533 has 2 hydrogen bond donor(s) and 9 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 BAS 01076533?
The CAS number of BAS 01076533 is 372084-07-6.
What is the molecular formula of BAS 01076533?
The molecular formula of BAS 01076533 is C21H27N5O3S.
What is the molecular weight of BAS 01076533?
The molecular weight of BAS 01076533 is 429.18 g/mol.
Where can I buy BAS 01076533?
You can request a quote for BAS 01076533 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01076533?
Yes, KEHONG BIO provides custom synthesis services for BAS 01076533 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.