AB00115750-01
TL;DR: AB00115750-01 (CAS 375839-23-9) is a chemical compound with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid
Also Known As: AB00115750-01, 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid, {[7-methyl-4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid, 2-((3-allyl-7-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetic acid
| Molecular Formula | C16H18N2O3S2 |
|---|---|
| Molecular Weight | 350.08 g/mol |
| LogP | 2.9455 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0759 |
| Heavy Atoms | 23 |
| Complexity | 837.9434 |
Chemical Identifiers
| CAS Number | 375839-23-9 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)O)CC=C |
Product Overview
AB00115750-01 (CAS 375839-23-9), with molecular formula C16H18N2O3S2 and molecular weight 350.08 g/mol. IUPAC: 2-[(7-methyl-4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of AB00115750-01
Property Insights of AB00115750-01
The XLogP value of 2.9455 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00115750-01. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00115750-01. Following Lipinski's Rule of Five, AB00115750-01 has 1 hydrogen bond donor(s) and 5 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 AB00115750-01?
The CAS number of AB00115750-01 is 375839-23-9.
What is the molecular formula of AB00115750-01?
The molecular formula of AB00115750-01 is C16H18N2O3S2.
What is the molecular weight of AB00115750-01?
The molecular weight of AB00115750-01 is 350.08 g/mol.
Where can I buy AB00115750-01?
You can request a quote for AB00115750-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00115750-01?
Yes, KEHONG BIO provides custom synthesis services for AB00115750-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.